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1

Kulli, V. R. "ATOM BOND CONNECTIVITY E-BANHATTI INDICES." INTERNATIONAL JOURNAL OF MATHEMATICS AND COMPUTER RESEARCH 11, no. 01 (January 30, 2023): 3201–8. http://dx.doi.org/10.47191/ijmcr/v11i1.13.

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In this paper, we introduce the atom bond connectivity E-Banhatti index and the sum atom bond connectivity E-Banhatti index of a graph. Also we compute these newly defined atom bond connectivity E-Banhatti indices for wheel graphs, friendship graphs, chain silicate networks, honeycomb networks and nanotubes.
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2

Ghaemi Asl, Mahdi, and Muhammad Mahdi Rashidi. "Dynamic diversification benefits of Sukuk and conventional bonds for the financial performance of MENA region companies: empirical evidence from COVID-19 pandemic period." Journal of Islamic Accounting and Business Research 12, no. 7 (August 4, 2021): 979–99. http://dx.doi.org/10.1108/jiabr-09-2020-0306.

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Purpose This study aims to investigate the spillover between the Middle East and North Africa (MENA) stock index and several security indices, including Sukuk and conventional bond, and ultimately compare the hedge effectiveness of Sukuk and conventional bond. Design/methodology/approach The study uses VAR (1)-asymmetric Baba, Engle, Kraft and Kroner-multivariate generalized autoregressive conditional heteroskedasticity (1,1) model to analyze the volatility and shock and asymmetric shock spillover between Sukuk index and several bond indices in the MENA region including, Bond, All Bond, High Yield Bond and Bond and Sukuk and MENA stock market index and ultimately compare the hedging capabilities of Sukuk and conventional bonds by calculating the optimal portfolio weights for securities indices and stock portfolios and hedge effectiveness of security indices. Findings Results indicate that there is no shock, volatility and asymmetric shock spillover between the Sukuk index and MENA stock index, implying that Sukuk indices behave independently from MENA stock indices; however, there is shock and asymmetric shock spillover between MENA stock indices and security indices that include conventional bonds. The result of optimal portfolio weights and corresponding hedge effectiveness indicate that Sukuk is the most significant asset among other security indices in diversifying and hedging stock MENA portfolios. Moreover, the hedge effectiveness of Sukuk shows persistent trends during both the normal and crisis periods. Practical implications The study suggests that MENA stock market investors and investment managers should add Sukuk instead of the conventional bond to their portfolio to hedge their portfolio against investment risks during both normal and crisis periods. Originality/value Although many studies compare many aspects of Sukuk and conventional bonds, this is the first study that compares the hedge effectiveness of Sukuk and conventional bond based on the time-varying optimal portfolio weights strategy.
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3

de Jong, Marielle, and Hongwen Wu. "Fundamental indexation for bond markets." Journal of Risk Finance 15, no. 3 (May 19, 2014): 264–74. http://dx.doi.org/10.1108/jrf-05-2014-0060.

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Purpose – The purpose of this paper is to build alternative indices weighing using a measure of fundamental value rather than debt size. The official bond indices built to reflect general price trends are market weighted, meaning that the bonds are weighted by their debt size. The more indebted, the more weight in the index, which mechanically increments the investment risks that are inherent. Those market indices are shown to be return-to-risk inefficient in recent studies compared to indices with alternative weighting schemes. The authors contribute to this growing literature, which mostly focuses on equities, by testing on bonds. Design/methodology/approach – The authors build alternative indices weighing using a measure of fundamental value rather than debt size. The authors have done this for sovereign bonds using gross domestic product (GDP) figures and for corporates taking sales revenues. Findings – The authors find in empirical tests that the fundamental indices build tend to outperform the market-weighted indices. Originality/value – This article builds on two articles by Arnott et al. (2005, 2010), in the Financial Analysts Journal and Journal of Portfolio Management, respectively, and adds value in the sense that – it takes an appreciation-free fundamental measure, – tests on the European as opposed to the US bond markets.
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4

Kulli, V. R. "NEIGHBORHOOD SUM ATOM BOND CONNECTIVITY INDICES OF SOME NANOSTAR DENDRIMERS." INTERNATIONAL JOURNAL OF MATHEMATICS AND COMPUTER RESEARCH 11, no. 02 (February 16, 2023): 3230–35. http://dx.doi.org/10.47191/ijmcr/v11i2.01.

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In this paper, we introduce the neighborhood sum atom bond connectivity index and the multiplicative neighborhood sum atom bond connectivity index of a graph. Also we compute these indices for certain dendrimers
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5

Phelps, Bruce D. "Replicating Bond Indices with Liquid Derivatives." CFA Digest 36, no. 4 (November 2006): 32–34. http://dx.doi.org/10.2469/dig.v36.n4.4302.

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6

Mariathasan, Joseph. "Bond indices: understanding all the angles." Balance Sheet 12, no. 4 (September 2004): 10–13. http://dx.doi.org/10.1108/09657960410699667.

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7

Dynkin, Lev, Anthony Gould, and Vadim Konstantinovsky. "Replicating Bond Indices with Liquid Derivatives." Journal of Fixed Income 15, no. 4 (March 31, 2006): 7–19. http://dx.doi.org/10.3905/jfi.2006.627827.

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8

Sueur, C., and G. Dauphin-tanguy. "Controllability Indices for Bond Graph Models." IFAC Proceedings Volumes 28, no. 8 (July 1995): 85–90. http://dx.doi.org/10.1016/s1474-6670(17)45442-5.

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9

Sangvinatsos, Antonios. "Strategic Asset Allocation: The Role of Corporate Bond Indices?" Quarterly Journal of Finance 01, no. 02 (June 2011): 355–422. http://dx.doi.org/10.1142/s2010139211000110.

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This paper studies dynamic asset allocations across stocks, Treasury bonds, and corporate bond indices. We employ a new model where liquidity plays an important role in forecasting excess returns. We document the significant utility benefits an investor gains by optimally including corporate bond indices in his portfolio. The benefits are bigger for lower-grade bonds. We also find that investment-grade indices are different from high-yield indices in that different risks are priced in these two asset classes. One important difference is that there exist positive "flight-to-liquidity" premia in investment-grade bonds, but we find no such premia in high-yield bonds. We calculate the portfolio behavior and the utility benefits for three types of investors, the "sophisticated", the "average" and the "lazy" investor. We provide practical portfolio advice on investing throughout the business cycle and we study how the total allocations and hedging demands vary with the business conditions. In addition, utilizing our model, we evaluate the significance of the liquidity variable information for the investor. We find that the liquidity information greatly enhances the investor's portfolio performance. Finally, further support in the optimality of the strategies is provided by calculating their in- and out-of-sample realized returns for the last decade.
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10

Karim, Sitara, Muhammad Abubakr Naeem, Nawazish Mirza, and Jessica Paule-Vianez. "Quantifying the hedge and safe-haven properties of bond markets for cryptocurrency indices." Journal of Risk Finance 23, no. 2 (January 14, 2022): 191–205. http://dx.doi.org/10.1108/jrf-09-2021-0158.

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PurposeThis study quantified the hedge and safe haven features of bond markets for multiple cryptocurrency indices from June 2014 to April 2021 to highlight whether bond markets offer hedging facilities to uncertainty indices of cryptocurrencies.Design/methodology/approachThe authors employed the methodology of Baur and McDermott (2010) and AGDCC-GARCH model to measure the hedge and safe-haven characteristics of three bond markets (BBGT, SPGB and SKUK) for three uncertainty indexes of cryptocurrencies (UCRPR, UCRPO and ICEA).FindingsThe authors find that bond markets are neither hedge nor safe havens except for SKUK which is a safe haven investment for cryptocurrency indices and offers substantial diversification during the periods of economic fragility. In addition, the hedge effectiveness of SPGB outperforms other bonds during crisis periods and provides sufficient diversification potential for cryptocurrency indices.Practical implicationsThe findings are important for policymakers, regulatory bodies, financial firms and investors in assessing hedge and safe haven characteristics of bond markets against cryptocurrency indices.Originality/valueEmploying the novel methodology of AGDCC-GARCH with three different bond markets and three uncertainty indices of cryptocurrencies, the current study adds to the existing strand of literature in terms of quantifying hedge and safe-haven attributes of bond markets for cryptocurrency uncertainty indexes.
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11

Bhuiyan, Rubaiyat Ahsan, Maya Puspa, Buerhan Saiti, and Gairuzazmi Mat Ghani. "Comparative analysis between global sukuk and bond indices: value-at-risk approach." Journal of Islamic Accounting and Business Research 11, no. 6 (January 10, 2020): 1245–56. http://dx.doi.org/10.1108/jiabr-02-2018-0019.

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Purpose Sukuk is an innovative financial instrument with a flexible structure based on Islamic financial contracts, unlike a bond which is based on the structure of a loan imposed with interest. With the notion that sukuk differs considerably from the conventional bonds in terms of risks related to investment, this study aims to examine whether the sukuk market is different from conventional bond markets based on the value-at-risk (VaR) approach. Design/methodology/approach The VaR of a portfolio consists of sukuk and bond indices and is undertaken to determine whether there is any reduction in the VaR amount through the inclusion of the sukuk index in the portfolio. The analysis is undertaken based on the developed and emerging market bond and sukuk indices from January 2010 to December 2015. Findings This paper examines whether the VaR of sukuk market differs from conventional bond markets by using fundamental techniques. It was observed that the VaR amount of sukuk indices is comparatively much lower than the VaR of bond indices in all the cases. Including the sukuk index with each bond index can reduce the VaR of the portfolio by around 30 to 50 per cent for all the developed and emerging market bond indices. Research limitations/implications This research is limited to covering six years of data. Nonetheless, it is able to provide findings which are believed to be useful for the market players. Practical implications This study unveils attractive opportunities in terms of diversification benefits of sukuk indices for international fixed-income portfolios. Originality/value The VaR method is a useful risk management tool. This study uses this method to emphasise the significant reduction of risks and diversification benefits that sukuk investment could offer by including it in the investment portfolio.
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12

Nalewajski, Roman F., Janusz Mrozek, and Grzegorz Mazur. "Quantum chemical valence indices from the one-determinantal difference approach." Canadian Journal of Chemistry 74, no. 6 (June 1, 1996): 1121–30. http://dx.doi.org/10.1139/v96-126.

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The recently introduced quadratic (two-electron) valence indices, ionic and covalent, derived from the Hartree–Fock finite-difference approach, are applied to selected organic and inorganic molecules to demonstrate their utility in monitoring chemical bonding patterns in molecular systems. The indices are defined in terms of differerences between simultaneous probabilities of finding two electrons on specified atoms, calculated from the molecular and separated-atom-limit (SAL) wave functions, respectively, in the UHF approximation. The total quadratic valence number represents the overall number of chemical bonds in the system under consideration; it is interpreted as the molecular expectation value of the difference operator of the molecular and SAL density operators. This interpretation leads to a new set of ionic atomic and diatomic valence components; these modified valence numbers are discussed using the two-orbital model in the UHF scheme. A new procedure is proposed for dividing the one-center contributions to the bond valences; it generates effective bond orders in qood agreement with chemical expectations. The new valence quantities are tested on selected typical molecules and prototype hydrogen-bonded dimers. A more extensive study has been carried out on small-ring propellanes, to examine changes in bond valences between bridgehead atoms in selected systems. Key words: chemical valence: UHF difference approach; chemical bond: two-electron model; bond multiplicities; ionic/covalent bond components; propellanes: valence study.
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13

Cejnek, Georg, and Otto Randl. "Dividend Risk Premia." Journal of Financial and Quantitative Analysis 55, no. 4 (April 16, 2019): 1199–242. http://dx.doi.org/10.1017/s0022109019000309.

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This article studies time variation in the expected excess returns of traded claims on dividends, bonds, and stock indices for international markets. We introduce a novel dividend risk factor that complements the bond risk factor of Cochrane and Piazzesi (2005). By aggregating over 4 regions (United States, United Kingdom, Eurozone, and Japan), we create global dividend and bond factors. Our global 2-factor model captures the excess returns of most Morgan Stanley Capital International (MSCI) country indices, as well as a variety of other test assets. Our findings highlight the value of the information contained in dividend and bond forward curves and suggest substantial comovement in international risk premia.
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14

Halkos, George E., and Stephanos T. Papadamou. "An investigation of bond term premia in international government bond indices." Research in International Business and Finance 20, no. 1 (March 2006): 45–61. http://dx.doi.org/10.1016/j.ribaf.2005.04.001.

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15

Shoaf, Ashley L., and Craig A. Bayse. "Trigger bond analysis of nitroaromatic energetic materials using wiberg bond indices." Journal of Computational Chemistry 39, no. 19 (February 21, 2018): 1236–48. http://dx.doi.org/10.1002/jcc.25186.

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16

Kulli, V. R. "Two New Multiplicative Atom Bond Connectivity Indices." Annals of Pure and Applied Mathematics 13, no. 1 (January 1, 2017): 1–7. http://dx.doi.org/10.22457/apam.v13n1a1.

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17

Nalewajski, Roman F. "Entropy/information bond indices of molecular fragments." Journal of Mathematical Chemistry 38, no. 1 (July 2005): 43–66. http://dx.doi.org/10.1007/s10910-005-4529-2.

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18

Trottier, Denis-Alexandre, Van Son Lai, and Frédéric Godin. "A characterization of CAT bond performance indices." Finance Research Letters 28 (March 2019): 431–37. http://dx.doi.org/10.1016/j.frl.2018.06.016.

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19

Ponec, Robert. "Bond indices in solids: Extended analytical model." Journal of Computational Chemistry 32, no. 14 (August 8, 2011): 3114–21. http://dx.doi.org/10.1002/jcc.21898.

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20

Albalahi, Abeer M., Akbar Ali, Zhibin Du, Akhlaq Ahmad Bhatti, Tariq Alraqad, Naveed Iqbal, and Amjad E. Hamza. "On Bond Incident Degree Indices of Chemical Graphs." Mathematics 11, no. 1 (December 21, 2022): 27. http://dx.doi.org/10.3390/math11010027.

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By swapping out atoms for vertices and bonds for edges, a graph may be used to model any molecular structure. A graph G is considered to be a chemical graph in graph theory if no vertex of G has a degree of 5 or greater. The bond incident degree (BID) index for a chemical graph G is defined as the total of contributions f(dG(u),dG(v)) from all edges uv of G, where dG(w) stands for the degree of a vertex w of G, E(G) is the set of edges of G, and f is a real-valued symmetric function. This paper addresses the problem of finding graphs with extremum BID indices over the class of all chemical graphs of a fixed number of edges and vertices.
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21

Rao, Yongsheng, Adnan Aslam, Muhammad Unfowan Noor, A. Othman Almatroud, and Zehui Shao. "Bond Incident Degree Indices of Catacondensed Pentagonal Systems." Complexity 2020 (August 20, 2020): 1–7. http://dx.doi.org/10.1155/2020/4935760.

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The bond incident degree (BID) indices can be written as a linear combination of the number of edges xi,j with end vertices of degree i and j. We introduce two transformations, namely, linearizing and unbranching, on catacondensed pentagonal systems and show that BID indices are monotone with respect to these transformations. We derive a general expression for calculating the BID indices of any catacondensed pentagonal system with a given number of pentagons, angular pentagons, and branched pentagons. Finally, we characterize the CPSs for which BID indices assume extremal values and compute their BID indices.
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22

Alhameedi, Khidhir, Amir Karton, Dylan Jayatilaka, and Sajesh P. Thomas. "Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds." IUCrJ 5, no. 5 (August 29, 2018): 635–46. http://dx.doi.org/10.1107/s2052252518010758.

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The question of whether intermolecular interactions in crystals originate from localized atom...atom interactions or as a result of holistic molecule...molecule close packing is a matter of continuing debate. In this context, the newly introduced Roby–Gould bond indices are reported for intermolecular `σ-hole' interactions, such as halogen bonding and chalcogen bonding, and compared with those for hydrogen bonds. A series of 97 crystal systems exhibiting these interaction motifs obtained from the Cambridge Structural Database (CSD) has been analysed. In contrast with conventional bond-order estimations, the new method separately estimates the ionic and covalent bond indices for atom...atom and molecule...molecule bond orders, which shed light on the nature of these interactions. A consistent trend in charge transfer from halogen/chalcogen bond-acceptor to bond-donor groups has been found in these intermolecular interaction regionsviaHirshfeld atomic partitioning of the electron populations. These results, along with the `conservation of bond orders' tested in the interaction regions, establish the significant role of localized atom...atom interactions in the formation of these intermolecular binding motifs.
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23

Heckel, Thomas, Zine Amghar, Isaac Haik, Olivier Laplénie, and Raul Leote de Carvalho. "Out-performing corporate bonds indices with factor investing." Bankers, Markets & Investors 165 (October 27, 2021): 2–10. http://dx.doi.org/10.54695/bmi.165.4476.

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We considered a large number of factors from value, quality, low risk and momentum styles and show that these factors can be used to select the corporate bonds with the highest risk-adjusted returns. Our results were confirmed for the three largest corporate bond universes, namely those defined by U.S. Investment Grade, Euro Investment Grade and U.S. High Yield benchmark indices. The factors we investigated can be used to create investment strategies designed to out-perform these benchmark indices by overweighting the cheapest bonds with the strongest performance trends from the most profitable, better managed and less risky companies
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24

Sial, Muhammad Safdar, Jacob Cherian, Abdelrhman Meero, Asma Salman, Abdul Aziz Abdul Rahman, Sarminah Samad, and Constantin Viorel Negrut. "Determining Financial Uncertainty through the Dynamics of Sukuk Bonds and Prices in Emerging Market Indices." Risks 10, no. 3 (March 8, 2022): 61. http://dx.doi.org/10.3390/risks10030061.

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The main focus of the study is to determine the financial uncertainty while examining the Sukuk bonds prices, Sukuk bond and global emerging market indices returns dynamics. The study, with a time period ranging from 2017 to 2020, applies the quantile regression technique. The study findings show that evidence of co-moment exists between the global emerging market index and Sukuk bond price returns, except the one. There is no impact of the financial uncertainty indicator reflected by the global volatility index (VIX) on the Sukuk index returns, and even this impact is negative for (VXEEM). The causal impact among the global emerging and Sukuk bond markets will help formulate future trading strategies in particular to Islamic bond markets.
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25

Zhang, Xiujun, Muhammad Naeem, Abdul Qudair Baig, and Manzoor Ahmad Zahid. "Study of Hardness of Superhard Crystals by Topological Indices." Journal of Chemistry 2021 (July 19, 2021): 1–10. http://dx.doi.org/10.1155/2021/9604106.

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Topological indices give immense information about a molecular structure or chemical structure. The hardness of materials for the indentation can be defined microscopically as the total resistance and effect of chemical bonds in the respective materials. The aim of this paper is to study the hardness of some superhard B C x crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.
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26

Nasreen, Samia, Syed Asif Ali Naqvi, Aviral Kumar Tiwari, Shawkat Hammoudeh, and Syed Ale Raza Shah. "A Wavelet-Based Analysis of the Co-Movement between Sukuk Bonds and Shariah Stock Indices in the GCC Region: Implications for Risk Diversification." Journal of Risk and Financial Management 13, no. 4 (March 29, 2020): 63. http://dx.doi.org/10.3390/jrfm13040063.

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Investors are interested in knowing whether sukuk bonds and shariah stock indices in the Gulf Corporation Council (GCC) region are related. This study examines the connectedness between the sukuk- and shariah-compliant stock indices in the GCC financial markets. Bivariate and multivariate wavelet approaches are applied to the daily data covering the period 10 July 2008 to 15 May 2017. The empirical findings demonstrate a strong correlation between these GCC sukuk bond indices and shariah stock indices. The degree of connectedness between these sukuk and shariah stock indices varies across time and scale. A strong and positive association is observed in the short term and a negative association is evident in the long term. The same findings are observed, using the wavelet cohesion approach that also validates the existence of portfolio diversification opportunities at a short-time horizon. The multivariate cross-correlation analysis reveals that these sukuk and shariah stock markets are highly integrated across time and scale. Furthermore, the value at risk (VaR) for the sukuk bond–shariah stocks portfolio is performed to highlight the significance of the wavelet analysis. The outcomes show that portfolio stocks are variable with respect to time or scale (time diversification). Overall, analyzing the sukuk bond–shariah stock index returns in the GCC at a multiscale level makes it easier for financial agents dealing with heterogeneous trading horizons to assess the benefits of diversifications.
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27

Zhou, Bo, and Rundan Xing. "On Atom-Bond Connectivity Index." Zeitschrift für Naturforschung A 66, no. 1-2 (February 1, 2011): 61–66. http://dx.doi.org/10.1515/zna-2011-1-210.

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The atom-bond connectivity (ABC) index, introduced by Estrada et al. in 1998, displays an excellent correlation with the formation heat of alkanes. We give upper bounds for this graph invariant using the number of vertices, the number of edges, the Randi´c connectivity indices, and the first Zagreb index. We determine the unique tree with the maximum ABC index among trees with given numbers of vertices and pendant vertices, and the n-vertex trees with the maximum, and the second, the third, and the fourth maximum ABC indices for n ≥ 6.
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28

Matha, Rajeev, Geetha E., Satish Kumar, and Raghavendra. "Dynamic relationship between equity, bond, commodity, forex and foreign institutional investments: Evidence from India." Investment Management and Financial Innovations 19, no. 4 (October 20, 2022): 65–82. http://dx.doi.org/10.21511/imfi.19(4).2022.06.

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The interrelationship between equity, bond, commodity and forex movements can provide investors with abundant trading opportunities regardless of whether one market is trending upward or downward. Hence, to understand the interlinkage between markets, this study examines the long-run and causal linkage between forex, G-sec bonds, oil prices, gold rates, foreign institutional investment (FII) flows, and equity market and sectoral index returns. Daily time-series data from August 2012 to August 2021 were considered for empirical analysis. Johansen’s cointegration test revealed that foreign exchanges like USD, Euro, GBP and Yen, oil and gold rates, G-bond returns and FII flows were significantly cointegrated with the stock market and sectoral indices in the long run. Further, Granger causality found a uni-directional relationship between forex rates (i.e., USD, Euro, Yen) and the market, as well as sectoral indices, except Nifty 50 and Nifty IT indices. Oil price movements were found to effectively predict future price changes of Nifty consumer durables, auto, IT indices. Gold prices are useful to predict Nifty-Auto, Bank, Financial Services, Oil & Gas and PSU. The study also found a bi-directional relationship from FII inflows to the stock market and sectoral indices. The findings suggest that forex rates, oil prices and FII flows significantly affect India’s stock market and sectoral performance. The study contributes to the existing literature by comprehensively examining the interlinkage between commodities such as oil and gold, foreign exchanges like USD, Euro, GBP and Yen, G-bond, FII flows and the stock market, and fourteen sectoral indices in the Indian context.
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29

Acharjee, Nivedita. "Acyclic and cyclic nitrone cycloadditions to 1-cinnamoyl-1-piperidine: A DFT study." Journal of Theoretical and Computational Chemistry 13, no. 08 (December 2014): 1450071. http://dx.doi.org/10.1142/s0219633614500710.

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DFT studies have been carried out for the cycloaddition reactions of a cyclic nitrone, 1-pyrroline-1-oxide and an acyclic nitrone, C,N-diphenyl nitrone to an unsymmetrically disubstituted dipolarophile, 1-cinnamoyl-1-piperidine. These reactions proved to be opposite to each other with respect to the electron demand character predicted by the electronic chemical potentials, electrophilicities and charge transfer at the transition states. The regio- and stereoselectivities have been predicted from DFT based reactivity indices, interaction energy calculations using a perturbative orbital independent theoretical model and the activation parameters of the located transition states. Two different concepts have been used for the evaluation of interaction energies. The selectivities were found to be in conformity with the experimental findings. The time gaps between the formations of C – C and C – O bonds were evaluated from single trajectory simulations. The asynchronicity of bond formation process was analyzed from the wiberg bond indices, atom–atom overlap weighted NAO bond orders and the calculated asymmetry indices of the transition states.
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30

Gagné, Olivier Charles, and Frank Christopher Hawthorne. "Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids." IUCrJ 7, no. 4 (June 9, 2020): 581–629. http://dx.doi.org/10.1107/s2052252520005928.

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Bond-length distributions are examined for 63 transition metal ions bonded to O2− in 147 configurations, for 7522 coordination polyhedra and 41 488 bond distances, providing baseline statistical knowledge of bond lengths for transition metals bonded to O2−. A priori bond valences are calculated for 140 crystal structures containing 266 coordination polyhedra for 85 transition metal ion configurations with anomalous bond-length distributions. Two new indices, Δtopol and Δcryst, are proposed to quantify bond-length variation arising from bond-topological and crystallographic effects in extended solids. Bond-topological mechanisms of bond-length variation are (1) non-local bond-topological asymmetry and (2) multiple-bond formation; crystallographic mechanisms are (3) electronic effects (with an inherent focus on coupled electronic vibrational degeneracy in this work) and (4) crystal-structure effects. The indices Δtopol and Δcryst allow one to determine the primary cause(s) of bond-length variation for individual coordination polyhedra and ion configurations, quantify the distorting power of cations via electronic effects (by subtracting the bond-topological contribution to bond-length variation), set expectation limits regarding the extent to which functional properties linked to bond-length variation may be optimized in a given crystal structure (and inform how optimization may be achieved) and more. These indices further provide an equal footing for comparing bond-length variation and the distorting power of ions across ligand types, including resolution for heteroligand polyhedra. The observation of multiple bonds is found to be primarily driven by the bond-topological requirements of crystal structures in solids. However, sometimes multiple bonds are observed to form as a result of electronic effects (e.g. the pseudo Jahn–Teller effect, PJTE); resolution of the origins of multiple-bond formation follows calculation of the Δtopol and Δcryst indices on a structure-by-structure basis. Non-local bond-topological asymmetry is the most common cause of bond-length variation in transition metal oxides and oxysalts, followed closely by the PJTE. Non-local bond-topological asymmetry is further suggested to be the most widespread cause of bond-length variation in the solid state, with no a priori limitations with regard to ion identity. Overall, bond-length variations resulting from the PJTE are slightly larger than those resulting from non-local bond-topological asymmetry, comparable with those resulting from the strong JTE, and less than those induced by π-bond formation. From a comparison of a priori and observed bond valences for ∼150 coordination polyhedra in which the strong JTE or the PJTE is the main reason underlying bond-length variation, the JTE is found not to have a cooperative relation with the bond-topological requirements of crystal structures. The magnitude of bond-length variation caused by the PJTE decreases in the following order for octahedrally coordinated d 0 transition metal oxyanions: Os8+ > Mo6+ > W6+ >> V5+ > Nb5+ > Ti4+ > Ta5+ > Hf4+ > Zr4+ > Re7+ >> Y3+ > Sc3+. Such ranking varies by coordination number; for [4] it is Re7+ > Ti4+ > V5+ > W6+ > Mo6+ > Cr6+ > Os8+ >> Mn7+; for [5] it is Os8+ > Re7+ > Mo6+ > Ti4+ > W6+ > V5+ > Nb5+. It is concluded that non-octahedral coordinations of d 0 ion configurations are likely to occur with bond-length variations that are similar in magnitude to their octahedral counterparts. However, smaller bond-length variations are expected from the PJTE for non-d 0 transition metal oxyanions.
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31

Ali, Akbar, Akhlaq Ahmad Bhatti, Naveed Iqbal, Tariq Alraqad, Jaya Percival Mazorodze, Hicham Saber, and Abdulaziz M. Alanazi. "Some Bond Incident Degree Indices of Cactus Graphs." Journal of Mathematics 2022 (January 21, 2022): 1–5. http://dx.doi.org/10.1155/2022/8325139.

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A connected graph in which no edge lies on more than one cycle is called a cactus graph (also known as Husimi tree). A bond incident degree (BID) index of a graph G is defined as ∑ u v ∈ E G f d G u , d G v , where d G w denotes the degree of a vertex w of G , E G is the edge set of G , and f is a real-valued symmetric function. This study involves extremal results of cactus graphs concerning the following type of the BID indices: I f i G = ∑ u v ∈ E G f i d G u / d G u + f i d G v / d G v , where i ∈ 1,2 , f 1 is a strictly convex function, and f 2 is a strictly concave function. More precisely, graphs attaining the minimum and maximum I f i values are studied in the class of all cactus graphs with a given number of vertices and cycles. The obtained results cover several well-known indices including the general zeroth-order Randić index, multiplicative first and second Zagreb indices, and variable sum exdeg index.
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32

Adiyanyam, Damchaa, Enkhbayar Azjargal, and Lkhagva Buyantogtokh. "Bond incident degree indices of stepwise irregular graphs." AIMS Mathematics 7, no. 5 (2022): 8685–700. http://dx.doi.org/10.3934/math.2022485.

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<abstract><p>The bond incident degree (BID) index of a graph $ G $ is defined as $ BID_{f}(G) = \sum_{uv\in E(G)}f(d(u), d(v)) $, where $ d(u) $ is the degree of a vertex $ u $ and $ f $ is a non-negative real valued symmetric function of two variables. A graph is stepwise irregular if the degrees of any two of its adjacent vertices differ by exactly one. In this paper, we give a sharp upper bound on the maximum degree of stepwise irregular graphs of order $ n $ when $ n\equiv 2({\rm{mod}}\;4) $, and we give upper bounds on $ BID_{f} $ index in terms of the order $ n $ and the maximum degree $ \Delta $. Moreover, we completely characterize the extremal stepwise irregular graphs of order $ n $ with respect to $ BID_{f} $.</p></abstract>
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33

Giambiagi, Mario, Myriam Segre de Giambiagi, Cassia D. dos Santos Silva, and Aloysio Paiva de Figueiredo. "Multicenter bond indices as a measure of aromaticity." Physical Chemistry Chemical Physics 2, no. 15 (2000): 3381–92. http://dx.doi.org/10.1039/b002009p.

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34

Ponec, Robert, and István Mayer. "Investigation of Some Properties of Multicenter Bond Indices." Journal of Physical Chemistry A 101, no. 9 (February 1997): 1738–41. http://dx.doi.org/10.1021/jp962510e.

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35

Wang, Chunlan. "Sovereign Default Concentration Risk Mitigationin Global Bond Indices." Journal of Index Investing 3, no. 2 (August 31, 2012): 56–61. http://dx.doi.org/10.3905/jii.2012.3.2.056.

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36

Mayer, I. "Bond order and valence indices: A personal account." Journal of Computational Chemistry 28, no. 1 (2006): 204–21. http://dx.doi.org/10.1002/jcc.20494.

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37

Alcoba, Diego R., Roberto C. Bochicchio, Luis Lain, and Alicia Torre. "Covalent bond indices and ionicities from similarity measures." Chemical Physics Letters 442, no. 1-3 (July 2007): 157–63. http://dx.doi.org/10.1016/j.cplett.2007.05.068.

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38

Ye, Jiachang, Muhuo Liu, Yuedan Yao, and Kinkar Ch Das. "Extremal polygonal cacti for bond incident degree indices." Discrete Applied Mathematics 257 (March 2019): 289–98. http://dx.doi.org/10.1016/j.dam.2018.10.035.

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39

Yang, Hong, and Muhammad Naeem. "Topological Descriptors of M-Carbon M r , s , t." Journal of Chemistry 2021 (October 18, 2021): 1–14. http://dx.doi.org/10.1155/2021/8792585.

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We have studied topological indices of the one the hardest crystal structures in a given chemical system, namely, M-carbon. These structures are based and obtained by the famous algorithm USPEX. The computations and applications of topological indices in the study of chemical structures is growing exponentially. Our aim in this article is to compare and compute some well-known topological indices based on degree and sum of degrees, namely, general Randić indices, Zagreb indices, atom bond connectivity index, geometric arithmetic index, new Zagreb indices, fourth atom bond connectivity index, fifth geometric arithmetic index, and Sanskruti index of the M-carbon M r , s , t . Moreover, we have also computed closed formulas for these indices.
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40

Akhter, Shehnaz, and Muhammad Imran. "On degree-based topological descriptors of strong product graphs." Canadian Journal of Chemistry 94, no. 6 (June 2016): 559–65. http://dx.doi.org/10.1139/cjc-2015-0562.

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Topological descriptors are numerical parameters of a graph that characterize its topology and are usually graph invariant. In a QSAR/QSPR study, physicochemical properties and topological indices such as Randić, atom–bond connectivity, and geometric–arithmetic are used to predict the bioactivity of different chemical compounds. There are certain types of topological descriptors such as degree-based topological indices, distance-based topological indices, counting-related topological indices, etc. Among degree-based topological indices, the so-called atom–bond connectivity and geometric–arithmetic are of vital importance. These topological indices correlate certain physicochemical properties such as boiling point, stability, strain energy, etc., of chemical compounds. In this paper, analytical closed formulas for Zagreb indices, multiplicative Zagreb indices, harmonic index, and sum-connectivity index of the strong product of graphs are determined.
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41

Bhuiyan, Rubaiyat Ahsan, Maya Puspa Rahman, Buerhan Saiti, and Gairuzazmi Mat Ghani. "Co-movement dynamics between global sukuk and bond markets." International Journal of Emerging Markets 14, no. 4 (October 14, 2019): 550–81. http://dx.doi.org/10.1108/ijoem-12-2017-0521.

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Purpose Market links (and price discovery) between financial assets and lead–lag relationships are topics of interest for financial economists, financial managers and analysts. The lead–lag relationship analysis should consider both short and long-term investors. From a portfolio diversification perspective, the first type of investor is generally more interested in determining the co-movement of financial assets at higher frequencies, which are short-run fluctuations, while the latter concentrates on the relationship at lower frequencies, or long-run fluctuations. The paper aims to discuss these issues. Design/methodology/approach For this study, a technique was employed known as the wavelet approach, which has recently been imported to finance from engineering sciences to study the co-movement dynamics between global sukuk and bond markets. Data cover the period from January 2010 to December 2015. Findings The results indicate that: there is no unidirectional causality from developed market bond indices to Malaysia and Dow Jones indices, which is promising for fixed-income investors of a developed market; and in relation to emerging markets, the Malaysian sukuk market has a bidirectional causality with Indonesia, Malaysia, India and South Korea bond indices but not China bond indices, while in terms of the Dow Jones sukuk index, there is no unidirectional causality between the listed emerging markets and the sukuk index except Indonesia’s market during the sample period. Research limitations/implications This analysis provides evidence regarding the timely and appropriate measure of correlation changes and the behaviour of sukuk and bond indices globally, which is beneficial to the management of sukuk and bond portfolios. Originality/value The evidence hitherto unexplored, which was produced by the application of a wavelet cross-correlation amongst the selected sukuk and bond indices, provides robust and useful information for international financial analysts as well as long and short-term investors.
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42

Yang, Zhen, Micheal Arockiaraj, Savari Prabhu, M. Arulperumjothi, and Jia-Bao Liu. "Second Zagreb and Sigma Indices of Semi and Total Transformations of Graphs." Complexity 2021 (September 3, 2021): 1–15. http://dx.doi.org/10.1155/2021/6828424.

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The study of structure-property relations including the transformations of molecules is of utmost importance in correlations with corresponding physicochemical properties. The graph topological indices have been used effectively for such study and, in particular, bond-based indices play a vital role. The bond-additive topological indices of a molecular graph are defined as a sum of edge measures over all edges in which edge measures can be computed based on degrees, closeness, peripherality, and irregularity. In this study, we provide the mathematical characterization of the transformation of a structure that can be accomplished by the novel edge adjacency and incidence relations. We derive the exact expressions of bond type indices such as second Zagreb, sigma indices, and their coindices of total transformation and two types of semitransformations of the molecules which in turn can be used to characterize the topochemical and topostructural properties.
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43

Rangel, Fernando C., Adão L. B. Montel, and K. C. Mundim. "A study of dihydrogen bond interactions through three-centre bond and group indices." Molecular Simulation 35, no. 4 (April 2009): 342–48. http://dx.doi.org/10.1080/08927020802247065.

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44

Zhang, Tao. "Influence factors and adjusting method of refractive indices of solid media." Modern Physics Letters B 32, no. 32 (November 20, 2018): 1850391. http://dx.doi.org/10.1142/s0217984918503918.

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It is of great significance to explore changing behavior and adjustment method of the refractive index. Expression of the refractive index, which was derived from the electron-cloud conductor model, contains the equivalent volume V of the electron clouds and the molecular density [Formula: see text]. The expression shows that the refractive index increases with V and [Formula: see text]. Based on this expression, main factors influencing the refractive index of solid medium are analyzed and summarized: the Nephelauxetic Effect, number of bonding electrons in the molecule, chemical bond property, number of nonbonding electrons in outermost layer of the molecule, and molecular density of the medium (electromagnetic wave factor is not considered). The relationship between the refractive index and the Nephelauxetic Effect is established. The calculations show that the Nephelauxetic Effect helps to increase the refractive index. Some viewpoints related to the Nephelauxetic Effect are supplemented. Characteristics of the solid medium that has a high refractive index are proposed: (1) Covalent bond component is high, and number of covalent bonds in one molecule is large. (2) Periodic number is as large as possible without increasing the ionic bond component. (3) Molecular density is high. According to these characteristics, method of adjusting the refractive index is discussed, and the results are consistent with the real situations.
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45

Liu, Jia-Bao, Muhammad Kashif Shafiq, Haidar Ali, Asim Naseem, Nayab Maryam, and Syed Sheraz Asghar. "Topological Indices of mth Chain Silicate Graphs." Mathematics 7, no. 1 (January 4, 2019): 42. http://dx.doi.org/10.3390/math7010042.

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A topological index is a numerical representation of a chemical structure, while a topological descriptor correlates certain physico-chemical characteristics of underlying chemical compounds besides its numerical representation. A large number of properties like physico-chemical properties, thermodynamic properties, chemical activity, and biological activity are determined by the chemical applications of graph theory. The biological activity of chemical compounds can be constructed by the help of topological indices such as atom-bond connectivity (ABC), Randić, and geometric arithmetic (GA). In this paper, Randić, atom bond connectivity (ABC), Zagreb, geometric arithmetic (GA), ABC4, and GA5 indices of the mth chain silicate S L ( m , n ) network are determined.
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46

Mohanappriya, G., and D. Vijiyalakshmi. "Edge Version Molecular Descriptors of Tetrameric 1, 3 Adamantane." International Journal of Engineering & Technology 7, no. 4.10 (October 2, 2018): 403. http://dx.doi.org/10.14419/ijet.v7i4.10.21026.

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Molecular descriptors (Topological indices) are the numerical invariants of a molecular graph which distinguish its topology. In this article, we compute edge version of topological indices such as Zagreb index, Atom bond connectivity index, Fourth atom bond connectivity index, Geometric Arithmetic index and Fifth Geometric Arithmetic index of tetrameric 1,3 adamantane.
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47

Ali, Akbar, Zahid Raza, and Akhlaq Ahmad Bhatti. "Extremal pentagonal chains with respect to bond incident degree indices." Canadian Journal of Chemistry 94, no. 10 (October 2016): 870–76. http://dx.doi.org/10.1139/cjc-2016-0308.

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Numerous molecular structure descriptors, which may be used in theoretical chemistry, are the bond incident degree (BID) indices. This study is devoted to establish a general expression for calculating the BID indices of pentagonal chains and to find the extremal (maximal and minimal) values for a variety of BID indices over the certain collection of pentagonal chains with a fixed number of pentagons.
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48

Aslam, Adnan, Safyan Ahmad, and Wei Gao. "On Certain Topological Indices of Boron Triangular Nanotubes." Zeitschrift für Naturforschung A 72, no. 8 (August 28, 2017): 711–16. http://dx.doi.org/10.1515/zna-2017-0135.

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AbstractThe topological index gives information about the whole structure of a chemical graph, especially degree-based topological indices that are very useful. Boron triangular nanotubes are now replacing usual carbon nanotubes due to their excellent properties. We have computed general Randić (Rα), first Zagreb (M1) and second Zagreb (M2), atom-bond connectivity (ABC), and geometric–arithmetic (GA) indices of boron triangular nanotubes. Also, we have computed the fourth version of atom-bond connectivity (ABC4) and the fifth version of geometric–arithmetic (GA5) indices of boron triangular nanotubes.
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49

Gutman, Ivan, Lingping Zhong, and Kexiang Xu. "Relating the ABC and harmonic indices." Journal of the Serbian Chemical Society 79, no. 5 (2014): 557–63. http://dx.doi.org/10.2298/jsc130930001g.

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The atom-bond connectivity (ABC) index is a much-studied molecular structure descriptor, based on the degrees of the vertices of the molecular graph. Recently, another vertex-degree-based topological index - the harmonic index (H) - attracted attention and gained popularity. We show how ABC and H are related.
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50

Sadjadi, SeyedAbdolreza, Chérif F. Matta, and I. P. Hamilton. "Chemical bonding in groups 10, 11, and 12 transition metal homodimers — An electron density study." Canadian Journal of Chemistry 91, no. 7 (July 2013): 583–90. http://dx.doi.org/10.1139/cjc-2012-0549.

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The properties of metal–metal bonding for transition metal homonuclear diatomics from groups 10, 11 and 12 are studied within the framework of the quantum theory of atoms in molecules (QTAIM) at the coupled cluster CCSD and CCSD(T) levels of theory. A novel approximate method developed by Keith and Frisch is used to augment electron densities calculated with pseudopotentials with the missing relativistic core densities to obtain approximations to the total densities of the dimers. The calculated delocalization indices for group 10 dimers are: Ni2 (1.6), Pd2 (0.44, an outlier in the group), and Pt2 (1.8); for group 11 dimers: Cu2 and Ag2 (1.01), and Au2 (1.13), all covalent bonds; for group 12: Zn2 (0.06), Cd2 (0.08), and Hg2 (0.09), all consistent with weak van der Waals complexes. The picture of bonding obtained by examining the values of the electron density at the bond critical points is consistent with the one obtained on the basis of these delocalization indices. A curious linear (instead of exponential) dependence of the delocalization index on the electron density at the bond critical point is presented here as an observation and will be investigated in more depth in later work. Several correlations between bond properties and bond dissociation energies are also explored. It is found that, with the exception of the Ni2 dimer that exhibits considerable multi-reference character, there are correlations between the calculated bond dissociation energies of the studied diatomics and several bond critical point properties. These correlations are novel as they span a set of bonds between different pairs of elements, while traditionally these correlations were reported for bonds between the same pair or elements but with different substituents.
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