Journal articles on the topic 'Open-shell'
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Mo, Zhenbo, and Liang Deng. "Open-shell iron hydrocarbyls." Coordination Chemistry Reviews 350 (November 2017): 285–99. http://dx.doi.org/10.1016/j.ccr.2017.07.007.
Full textMakhanets, O. "Spectral parameters of electron in multi-shell open semiconductor nanotube." Semiconductor physics, quantum electronics and optoelectronics 18, no. 1 (2015): 57–62. http://dx.doi.org/10.15407/spqeo18.01.057.
Full textSun, Zhe, and Jishan Wu. "Open-shell polycyclic aromatic hydrocarbons." J. Mater. Chem. 22, no. 10 (2012): 4151–60. http://dx.doi.org/10.1039/c1jm14786b.
Full textJayatilaka, Dylan, and Timothy J. Lee. "Open‐shell coupled‐cluster theory." Journal of Chemical Physics 98, no. 12 (1993): 9734–47. http://dx.doi.org/10.1063/1.464352.
Full textQu, Zexing. "Reactivities of singlet oxygen: open-shell or closed-shell?" Physical Chemistry Chemical Physics 22, no. 24 (2020): 13373–77. http://dx.doi.org/10.1039/d0cp02466j.
Full textScheibel, Markus G., Bjorn Askevold, Frank W. Heinemann, Edward J. Reijerse, Bas de Bruin, and Sven Schneider. "Closed-shell and open-shell square-planar iridium nitrido complexes." Nature Chemistry 4, no. 7 (2012): 552–58. http://dx.doi.org/10.1038/nchem.1368.
Full textDavidson, E. R. "Construction of open shell perturbation theory." Chemical Physics Letters 241, no. 4 (1995): 432–37. http://dx.doi.org/10.1016/0009-2614(95)00675-t.
Full textGuseinov, I. I. "Restricted open shell Hartree-Fock theory." Journal of Molecular Structure: THEOCHEM 422, no. 1-3 (1998): 69–73. http://dx.doi.org/10.1016/s0166-1280(97)00089-4.
Full textZhao, Z. X., and T. Brabec. "Tunnel ionization of open-shell atoms." Journal of Physics B: Atomic, Molecular and Optical Physics 39, no. 22 (2006): L345—L351. http://dx.doi.org/10.1088/0953-4075/39/22/l01.
Full textTew, David P., and Wim Klopper. "Open-shell explicitly correlated F12 methods." Molecular Physics 108, no. 3-4 (2010): 315–25. http://dx.doi.org/10.1080/00268970903449388.
Full textLiegener, Christoph-Maria, and Mohamed Assad Abdel-Raouf. "Positron affinities of open-shell systems." Physical Review A 43, no. 11 (1991): 6404–5. http://dx.doi.org/10.1103/physreva.43.6404.
Full textRadhi, R. A. "Coulomb excitations of open-shell nuclei." Journal of Physics A: Mathematical and Theoretical 42, no. 21 (2009): 214047. http://dx.doi.org/10.1088/1751-8113/42/21/214047.
Full textKrause, M. O. "Electron spectrometry of open-shell atoms." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 87, no. 1-4 (1994): 178–82. http://dx.doi.org/10.1016/0168-583x(94)95256-6.
Full textMurray, Christopher, and Ernest R. Davidson. "Perturbation theory for open shell systems." Chemical Physics Letters 187, no. 5 (1991): 451–54. http://dx.doi.org/10.1016/0009-2614(91)80281-2.
Full textPłoszajczak, M., and J. Okołowicz. "Shell Model for Open Quantum Systems." International Journal of Theoretical Physics 50, no. 4 (2010): 1097–104. http://dx.doi.org/10.1007/s10773-010-0571-3.
Full textAndrews, Jamie S., Christopher W. Murray, and Nicholas C. Handy. "Low-spin open-shell perturbation theory." Chemical Physics Letters 201, no. 5-6 (1993): 458–64. http://dx.doi.org/10.1016/0009-2614(93)85101-s.
Full textStaemmler, V. "CEPA calculations on open-shell molecules." Zeitschrift f�r Physik D Atoms, Molecules and Clusters 16, no. 3 (1990): 167–73. http://dx.doi.org/10.1007/bf01437330.
Full textTichai, Alexander, Eskendr Gebrerufael, Klaus Vobig, and Robert Roth. "Open-shell nuclei from No-Core Shell Model with perturbative improvement." Physics Letters B 786 (November 2018): 448–52. http://dx.doi.org/10.1016/j.physletb.2018.10.029.
Full textPariyar, Anand, Gonela Vijaykumar, Mrinal Bhunia, et al. "Switching Closed-Shell to Open-Shell Phenalenyl: Toward Designing Electroactive Materials." Journal of the American Chemical Society 137, no. 18 (2015): 5955–60. http://dx.doi.org/10.1021/jacs.5b00272.
Full textZipse, Hendrik. "Open-Shell Analogs of Closed Shell Reaction Paths: the SRN2' case." Journal of the American Chemical Society 116, no. 23 (1994): 10773–74. http://dx.doi.org/10.1021/ja00102a048.
Full textLi, Guangwu, Tullimilli Y. Gopalakrishna, Hoa Phan, Tun Seng Herng, Jun Ding, and Jishan Wu. "From Open-Shell Singlet Diradicaloid to Closed-Shell Global Antiaromatic Macrocycles." Angewandte Chemie 130, no. 24 (2018): 7284–88. http://dx.doi.org/10.1002/ange.201803949.
Full textLi, Guangwu, Tullimilli Y. Gopalakrishna, Hoa Phan, Tun Seng Herng, Jun Ding, and Jishan Wu. "From Open-Shell Singlet Diradicaloid to Closed-Shell Global Antiaromatic Macrocycles." Angewandte Chemie International Edition 57, no. 24 (2018): 7166–70. http://dx.doi.org/10.1002/anie.201803949.
Full textPerutz, Robin N., Jeremy N. Hill, and Andrew McCamley. "Laser spectroscopy of open-shell sandwich complexes." Coordination Chemistry Reviews 111 (December 1991): 111–16. http://dx.doi.org/10.1016/0010-8545(91)84015-w.
Full textSoncini, A., and P. W. Fowler. "Ring-current aromaticity in open-shell systems." Chemical Physics Letters 450, no. 4-6 (2008): 431–36. http://dx.doi.org/10.1016/j.cplett.2007.11.053.
Full textKovalenko, V. I., and A. R. Khamatgalimov. "Open-shell fullerene C74: phenalenyl-radical substructures." Chemical Physics Letters 377, no. 3-4 (2003): 263–68. http://dx.doi.org/10.1016/s0009-2614(03)01055-8.
Full textChan, Bun, Amir Karton, Krishnan Raghavachari, and Leo Radom. "Restricted-Open-Shell G4(MP2)-Type Procedures." Journal of Physical Chemistry A 120, no. 46 (2016): 9299–304. http://dx.doi.org/10.1021/acs.jpca.6b09361.
Full textGreene, Chris H., and Longhuan Kim. "Streamlined eigenchannel treatment of open-shell spectra." Physical Review A 38, no. 11 (1988): 5953–56. http://dx.doi.org/10.1103/physreva.38.5953.
Full textChilwant, Nikhil, and Makarand S. Kulkarni. "Open Asset Administration Shell for Industrial Systems." Manufacturing Letters 20 (April 2019): 15–21. http://dx.doi.org/10.1016/j.mfglet.2019.02.002.
Full textAmos, Roger D., Jamie S. Andrews, Nicholas C. Handy, and Peter J. Knowles. "Open-shell M∅ller—Plesset perturbation theory." Chemical Physics Letters 185, no. 3-4 (1991): 256–64. http://dx.doi.org/10.1016/s0009-2614(91)85057-4.
Full textKhoperskiĭ, A. N., V. A. Yavna, A. M. Nadolinskiĭ, and V. V. Timoshevskaya. "Form factor of an open-shell atom." Optics and Spectroscopy 89, no. 1 (2000): 4–5. http://dx.doi.org/10.1134/bf03355978.
Full textRohr, Daniel R., and Katarzyna Pernal. "Open-shell reduced density matrix functional theory." Journal of Chemical Physics 135, no. 7 (2011): 074104. http://dx.doi.org/10.1063/1.3624609.
Full textY. Gopalakrishna, Tullimilli, Wangdong Zeng, Xuefeng Lu, and Jishan Wu. "From open-shell singlet diradicaloids to polyradicaloids." Chemical Communications 54, no. 18 (2018): 2186–99. http://dx.doi.org/10.1039/c7cc09949e.
Full textKhoperskiı̆, A. N. "Form Factor of an Open-Shell Atom." Optics and Spectroscopy 89, no. 1 (2000): 4. http://dx.doi.org/10.1134/1.1131504.
Full textMaier, John P. "Spectroscopic structure of open-shell polyatomic cations." Chemical Society Reviews 17 (1988): 45. http://dx.doi.org/10.1039/cs9881700045.
Full textKatriel, Jacob, and H. E. Montgomery. "Atomic vs. quantum dot open shell spectra." Journal of Chemical Physics 146, no. 6 (2017): 064104. http://dx.doi.org/10.1063/1.4975328.
Full textPoater, Jordi, and Miquel Solà. "Open-shell jellium aromaticity in metal clusters." Chemical Communications 55, no. 39 (2019): 5559–62. http://dx.doi.org/10.1039/c9cc02067e.
Full textGlushkov, V. N. "Alternative techniques in open-shell SCF theory." International Journal of Quantum Chemistry 99, no. 4 (2004): 236–46. http://dx.doi.org/10.1002/qua.10851.
Full textHuang, Fu Qiang, and Au Chin Tang. "Dihedral fullerenes: Open, closed, and pseudoclosed shell." International Journal of Quantum Chemistry 62, no. 4 (1997): 437–46. http://dx.doi.org/10.1002/(sici)1097-461x(1997)62:4<437::aid-qua11>3.0.co;2-4.
Full textSun, Zhe, and Jishan Wu. "ChemInform Abstract: Open-Shell Polycyclic Aromatic Hydrocarbons." ChemInform 43, no. 22 (2012): no. http://dx.doi.org/10.1002/chin.201222219.
Full textKrantz, C., N. R. Badnell, A. Müller, S. Schippers, and A. Wolf. "Recombination of open-f-shell tungsten ions." Journal of Physics B: Atomic, Molecular and Optical Physics 50, no. 5 (2017): 052001. http://dx.doi.org/10.1088/1361-6455/aa547d.
Full textVarughese, Cherian, and William I. Weisberger. "Off-shell amplitudes for open bosonic strings." Physical Review D 37, no. 4 (1988): 981–89. http://dx.doi.org/10.1103/physrevd.37.981.
Full textSilverstone, Harris J. "Hartree–Fock equations for open shell states." Journal of Chemical Physics 67, no. 9 (1999): 4172. http://dx.doi.org/10.1063/1.435396.
Full textEndo, Y., H. Kohguchi, and Y. Ohshima. "PDN–FTMW spectroscopy of open-shell complexes." Faraday Discuss. 97 (1994): 341–50. http://dx.doi.org/10.1039/fd9949700341.
Full textAlon, Ofir E., and L. S. Cederbaum. "Scattering from open-shell many-body targets." Journal of Physics A: Mathematical and General 35, no. 22 (2002): L303—L308. http://dx.doi.org/10.1088/0305-4470/35/22/102.
Full textSzalay, Péter G., and Jürgen Gauss. "Spin-restricted open-shell coupled-cluster theory." Journal of Chemical Physics 107, no. 21 (1997): 9028–38. http://dx.doi.org/10.1063/1.475220.
Full textMaurat, Emmanuel, and Paul-Antoine Hervieux. "Thermal properties of open-shell metal clusters." New Journal of Physics 11, no. 10 (2009): 103031. http://dx.doi.org/10.1088/1367-2630/11/10/103031.
Full textEdwards, W. Daniel, and Michael C. Zerner. "A generalized restricted open-shell Fock operator." Theoretica Chimica Acta 72, no. 5-6 (1987): 347–61. http://dx.doi.org/10.1007/bf01192227.
Full textMalykhanov, Yu B. "Nonstationary perturbation theory for open-shell molecules." Theoretical and Experimental Chemistry 21, no. 1 (1985): 17–25. http://dx.doi.org/10.1007/bf00524305.
Full textTomić, Bojan, Jelena Jovanović, and Vladan Devedžić. "JavaDON: an open-source expert system shell." Expert Systems with Applications 31, no. 3 (2006): 595–606. http://dx.doi.org/10.1016/j.eswa.2005.09.085.
Full textOrlin, V. N. "A modified RPA for open-shell nuclei." Nuclear Physics A 489, no. 3 (1988): 430–44. http://dx.doi.org/10.1016/0375-9474(88)90005-x.
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