Academic literature on the topic 'Quantum theory of atoms in molecules'
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Journal articles on the topic "Quantum theory of atoms in molecules"
Orville-Thomas, W. J. "Atoms in Molecules — a Quantum Theory." Journal of Molecular Structure: THEOCHEM 360, no. 1-3 (1996): 175. http://dx.doi.org/10.1016/s0166-1280(96)90925-2.
Full textWan, Wei, and Alexander D. Q. Li. "Full-Quantum Treatment of Molecular Systems Confirms Novel Supracence Photonic Properties." International Journal of Molecular Sciences 24, no. 8 (2023): 7490. http://dx.doi.org/10.3390/ijms24087490.
Full textWzgarda-Raj, Kinga, Agnieszka J. Rybarczyk-Pirek, Sławomir Wojtulewski, and Marcin Palusiak. "C—Br...S halogen bonds in novel thiourea N-oxide cocrystals: analysis of energetic and QTAIM parameters." Acta Crystallographica Section C Structural Chemistry 76, no. 2 (2020): 170–76. http://dx.doi.org/10.1107/s2053229620000947.
Full textPotemkin, Vladimir, Nadezhda Palko, and Maria Grishina. "Quantum theory of atoms in molecules for photovoltaics." Solar Energy 190 (September 2019): 475–87. http://dx.doi.org/10.1016/j.solener.2019.08.048.
Full textDELLE SITE, L. "ON THE RELEVANCE OF THE WAVEFUNCTION'S PHASE FACTOR FOR UNDERSTANDING TOPOLOGICAL PROPERTIES OF ATOMS AND MOLECULES IN CONDENSED PHASES: A SIMPLE EXAMPLE." International Journal of Modern Physics B 15, no. 04 (2001): 403–8. http://dx.doi.org/10.1142/s0217979201004502.
Full textKrawczuk, Anna, Daniel Pérez, and Piero Macchi. "PolaBer: a program to calculate and visualize distributed atomic polarizabilities based on electron density partitioning." Journal of Applied Crystallography 47, no. 4 (2014): 1452–58. http://dx.doi.org/10.1107/s1600576714010838.
Full textForoutan-Nejad, Cina, Gholam Hossein Shafiee, Abdolreza Sadjadi, and Shant Shahbazian. "Ab initio charge density analysis of (B6C)2 and B4C3 species How to describe the bonding pattern?" Canadian Journal of Chemistry 84, no. 5 (2006): 771–81. http://dx.doi.org/10.1139/v06-059.
Full textMcWeeny, Roy. "The Quantum Mechanics of Cohesion." Collection of Czechoslovak Chemical Communications 72, no. 2 (2007): 252–68. http://dx.doi.org/10.1135/cccc20070252.
Full textTARASOV, VASILY E. "QUANTUM NANOTECHNOLOGY." International Journal of Nanoscience 08, no. 04n05 (2009): 337–44. http://dx.doi.org/10.1142/s0219581x09005517.
Full textGrant, IP. "Current Developments in the Relativistic Quantum Mechanics of Atoms and Molecules." Australian Journal of Physics 39, no. 5 (1986): 649. http://dx.doi.org/10.1071/ph860649.
Full textDissertations / Theses on the topic "Quantum theory of atoms in molecules"
Skaane, Haakon. "Relativistic quantum theory and its applications to atoms and molecules." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.267921.
Full textXu, Gang. "Manipulation and quantum control of ultracold atoms and molecules for precision measurements." Access restricted to users with UT Austin EID, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3038196.
Full textBaskerville, Adam. "The quantum chemical physics of few-particle atoms and molecules." Thesis, University of Sussex, 2018. http://sro.sussex.ac.uk/id/eprint/77136/.
Full textLi, Ming. "Quantum Theory of Ion-Atom Interactions." University of Toledo / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1404667900.
Full textEngdahl, Erik. "Computation of resonance energies and spectral densities in the complex energy plane : application of complex scaling techniques for atoms, molecules and surfaces /." Uppsala : Uppsala Universitet, 1988. http://bibpurl.oclc.org/web/32938.
Full textSharkey, Keeper Layne. "Very Accurate Quantum Mechanical Non-Relativistic Spectra Calculations of Small Atoms & Molecules Employing All-Particle Explicitly Correlated Gaussian Basis Functions." Diss., The University of Arizona, 2015. http://hdl.handle.net/10150/560835.
Full textOrlando, A. M. "NEW INSIGHT IN ELECTRON DENSITY AND ELECTRON SPIN DENSITY THROUGH TOPOLOGICAL DESCRIPTORS BASED ON BADER'S THEORY OF ATOM IN MOLECULES." Doctoral thesis, Università degli Studi di Milano, 2016. http://hdl.handle.net/2434/374929.
Full textHey, Jakob. "From X-ray diffraction data annealing to comprehensive charge density analysis." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2013. http://hdl.handle.net/11858/00-1735-0000-0001-BBE1-7.
Full textFournet, Steven P. "High Resolution X-ray Diffraction Analysis of CB1 Receptor Antagonists as a Means to Explore Binding Affinity." ScholarWorks@UNO, 2013. http://scholarworks.uno.edu/td/1737.
Full textRossi, François-Noël. "Etude théorique des collisions non réactives entre atomes alcalins et molécules d'hydrogène ou de deuterium : Calcul et analyse des surfaces de potentiel, application aux transitions de structure fine du rubidium." Paris 13, 1986. http://www.theses.fr/1986PA132015.
Full textBooks on the topic "Quantum theory of atoms in molecules"
Grant, I. P., ed. Relativistic Quantum Theory of Atoms and Molecules. Springer New York, 2007. http://dx.doi.org/10.1007/978-0-387-35069-1.
Full textMarch, Norman H. Electron density theory of atoms and molecules. Academic Press, 1992.
Find full textJenkins, Samantha, and Steven Robert Kirk. Next Generation Quantum Theory of Atoms in Molecules. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-0329-0.
Full text1923-, Resnick Robert, ed. Quantum physics of atoms, molecules, solids, nuclei, and particles. 2nd ed. Wiley, 1985.
Find full text1960-, Karshenboim S. G., ed. Precision physics of simple atoms and molecules. Springer, 2008.
Find full textNational Research Council (U.S.). Committee on Atomic, Molecular, and Optical Sciences 2010, ed. Controlling the quantum world: The science of atoms, molecules, and photons. National Academies Press, 2007.
Find full textJulg, André. From atoms and molecules to the cosmos: A quasi-ergodic interpretation of quantum mechanics. Springer-Verlag, 1998.
Find full textPatil, S. H. Asymptotic Methods in Quantum Mechanics: Application to Atoms, Molecules and Nuclei. Springer Berlin Heidelberg, 2000.
Find full textPatil, S. H. Asymptotic methods in quantum mechanics: Application to atoms, molecules, and nuclei. Springer, 2000.
Find full textBook chapters on the topic "Quantum theory of atoms in molecules"
Hertel, Peter. "Atoms and Molecules." In Quantum Theory and Statistical Thermodynamics. Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-58595-6_3.
Full textAvery, John. "Dimensional Scaling in Quantum Theory." In Structure and Dynamics of Atoms and Molecules: Conceptual Trends. Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0263-6_5.
Full textLieb, Elliott H. "Some Fundamental Properties of the Ground States of Atoms and Molecules." In Fundamental Aspects of Quantum Theory. Springer US, 1986. http://dx.doi.org/10.1007/978-1-4684-5221-1_23.
Full textLombardi, Olimpia, and Chérif F. Matta. "Coarse Graining and the Quantum Theory of Atoms in Molecules." In Philosophical Perspectives in Quantum Chemistry. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-98373-4_10.
Full textGarza, Jorge, and Rubicelia Vargas. "Density Functional Theory Applied on Confined Many-Electron Atoms." In Electronic Structure of Quantum Confined Atoms and Molecules. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-09982-8_8.
Full textCioslowski, Jerzy, and Jacek Karwowski. "Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation." In Mathematical and Computational Chemistry. Springer US, 2001. http://dx.doi.org/10.1007/978-1-4757-3273-3_7.
Full textMatta, Chérif F., Paul W. Ayers, and Ronald Cook. "The Quantum Theory of Atoms in Molecules and Electron Localization and Delocalization." In Lecture Notes in Chemistry. Springer International Publishing, 2024. http://dx.doi.org/10.1007/978-3-031-51434-0_3.
Full textWeeks, John D., Andrew Hazi, and Stuart A. Rice. "On the Use of Pseudopotentials in the Quantum Theory of Atoms and Molecules." In Advances in Chemical Physics. John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470143612.ch6.
Full textWerstiuk, N. H., K. E. Laidig, and J. Ma. "Application of Quantum Theory of Atoms in Molecules to Study of Anomeric Effect in Dimethoxymethane." In ACS Symposium Series. American Chemical Society, 1993. http://dx.doi.org/10.1021/bk-1993-0539.ch010.
Full textKeil, Mark, Shimon Machluf, Yair Margalit, et al. "Stern-Gerlach Interferometry with the Atom Chip." In Molecular Beams in Physics and Chemistry. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-63963-1_14.
Full textConference papers on the topic "Quantum theory of atoms in molecules"
Das, Nishith Kumar, and Tetsuo Shoji. "A Computational Chemistry Study of the Oxidation Mechanism at the Random Grain Boundary of an Fe-Cr Binary Alloy." In CORROSION 2010. NACE International, 2010. https://doi.org/10.5006/c2010-10286.
Full textPenttinen, Jussi-Pekka, Emmi Kantola, Topi Uusitalo, et al. "Compact Vertical-External-Cavity Surface-Emitting Laser (VECSEL) Platform for Quantum Technology." In Quantum 2.0. Optica Publishing Group, 2024. http://dx.doi.org/10.1364/quantum.2024.qth2c.4.
Full textK, Venkata Muralidhar, Vinay Jain, and Beena Rai. "Thiourea Derivatives as Steel Corrosion Inhibitors: Density Functional Theory and Experimental Studies." In CORROSION 2019. NACE International, 2019. https://doi.org/10.5006/c2019-13317.
Full textDas, Nishith Kumar, and Tetsuo Shoji. "A Fundamental Study of an Fe-Cr(111) Binary Alloy-Metal Oxide(110)-Water Interfaces." In CORROSION 2011. NACE International, 2011. https://doi.org/10.5006/c2011-11289.
Full textLiu, Lee R., Dina Rosenberg, P. Bryan Changala, David J. Nesbitt, Timur Tscherbul, and Jun Ye. "Resolving High Order Tensor Interactions in C60 Fullerenes." In Quantum 2.0. Optica Publishing Group, 2023. http://dx.doi.org/10.1364/quantum.2023.qth4c.7.
Full textBandrauk, André D., and O. F. Kalman. "Dynamics in Intense Fields - Beyond the Dipole Approximation." In Multiple Excitations of Atoms. Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tuc1.
Full textKrainov, V. P. "Barrier-Suppression Ionization of Complex Atoms and Diatomic Molecules." In Applications of High Field and Short Wavelength Sources. Optica Publishing Group, 1997. http://dx.doi.org/10.1364/hfsw.1997.the8.
Full textZon, B. A. "Tunneling ionization of molecules." In Applications of High Field and Short Wavelength Sources. Optica Publishing Group, 1997. http://dx.doi.org/10.1364/hfsw.1997.the10.
Full textSoare, G. "A Physical Model of the Molecular-Quantum Natural Convection Heat Transfer Mechanism." In ASME 2003 Heat Transfer Summer Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/ht2003-47401.
Full textDomen, K., and T. J. Chuang. "Photofragmentation and Desorption of CH2I2 from Sapphire and Silver Surfaces by a UV Laser." In Microphysics of Surfaces, Beams, and Adsorbates. Optica Publishing Group, 1987. http://dx.doi.org/10.1364/msba.1987.mb2.
Full textReports on the topic "Quantum theory of atoms in molecules"
Barnett, R. N. Quantum Monte Carlo for atoms and molecules. Office of Scientific and Technical Information (OSTI), 1989. http://dx.doi.org/10.2172/7040202.
Full textLanghoff, P. W., J. D. Mills, J. A. Boatz, and G. A. Gallup. Quantum-Mechanical Definition of Atoms and Chemical Bonds in Molecules. Defense Technical Information Center, 2015. http://dx.doi.org/10.21236/ada626631.
Full textByrd, Edward F. On the Failure of Correlating Partitioned Electrostatic Surface Potentials Using Bader's Atoms-in-Molecules Theory to Impact Sensitivities. Defense Technical Information Center, 2013. http://dx.doi.org/10.21236/ada586396.
Full textGENERAL THEORY OF THE WHOLE PHYSICAL WORLD. SIB-Expertise, 2022. http://dx.doi.org/10.12731/er0599.29072022.
Full textGENERAL THEORY OF THE WHOLE PHYSICAL WORLD. SIB-Expertise, 2022. http://dx.doi.org/10.12731/er0599.10082022.
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