Ab initio quantum chemistry methods (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "Ab initio quantum chemistry methods" in English language version.

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16doi.org

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11harvard.edu

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4nih.gov

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2arxiv.org

69^th place

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1quantum-chemistry-history.com

low place

1worldcat.org

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1semanticscholar.org

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1aip.org

2,204^th place

1,735^th place

1arquivo.pt

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1acs.org

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acs.org

pubs.acs.org

Mischa Bonn et al., Interfacial Water Facilitates Energy Transfer by Inducing Extended Vibrations in Membrane Lipids, J Phys Chem, 2012 http://pubs.acs.org/doi/abs/10.1021/jp302478a

aip.org

jcp.aip.org

Alireza Mashaghi et al., Hydration strongly affects the molecular and electronic structure of membrane phospholipids. J. Chem. Phys. 136, 114709 (2012) http://jcp.aip.org/resource/1/jcpsa6/v136/i11/p114709_s1 Archived 2016-05-15 at the Portuguese Web Archive

arquivo.pt

Alireza Mashaghi et al., Hydration strongly affects the molecular and electronic structure of membrane phospholipids. J. Chem. Phys. 136, 114709 (2012) http://jcp.aip.org/resource/1/jcpsa6/v136/i11/p114709_s1 Archived 2016-05-15 at the Portuguese Web Archive

arxiv.org

Hanaor, Dorian A. H. (2012). "Ab initio study of phase stability in doped TiO₂". Computational Mechanics. 50 (2): 185–194. arXiv:1210.7555. Bibcode:2012CompM..50..185H. doi:10.1007/s00466-012-0728-4. S2CID 95958719.
Ma, Xiaoyao (January 5, 2016). "Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems". The Journal of Chemical Physics. 144 (1): 014101. arXiv:1512.05455. Bibcode:2016JChPh.144a4101M. doi:10.1063/1.4939145. PMC 6910603. PMID 26747795.

doi.org

Parr, Robert G.; Craig D. P.; Ross, I. G. (1950). "Molecular Orbital Calculations of the Lower Excited Electronic Levels of Benzene, Configuration Interaction included". Journal of Chemical Physics. 18 (12): 1561–1563. Bibcode:1950JChPh..18.1561P. doi:10.1063/1.1747540.
Parr, R. G. (1990). "On the genesis of a theory". Int. J. Quantum Chem. 37 (4): 327–347. doi:10.1002/qua.560370407.
Friesner, Richard A. (May 10, 2005). "Ab initio quantum chemistry: Methodology and applications". Proceedings of the National Academy of Sciences of the United States of America. 102 (19): 6648–6653. Bibcode:2005PNAS..102.6648F. doi:10.1073/pnas.0408036102. ISSN 0027-8424. PMC 1100737. PMID 15870212.
Werner, H-J; Manby, F. R.; Knowles, P. J. (2003). "Fast linear scaling second-order Møller–Plesset perturbation theory (MP2) using local and density fitting approximations". Journal of Chemical Physics. 118 (18): 8149–8161. Bibcode:2003JChPh.118.8149W. doi:10.1063/1.1564816.
Saebø, S.; Pulay, P. (1987). "Fourth-order Møller–Plessett perturbation theory in the local correlation treatment. I. Method". Journal of Chemical Physics. 86 (2): 914–922. Bibcode:1987JChPh..86..914S. doi:10.1063/1.452293.
Schütz, M.; Hetzer, G.; Werner, H-J (1999). "Low-order scaling local electron correlation methods. I. Linear scaling local MP2". Journal of Chemical Physics. 111 (13): 5691–5705. Bibcode:1999JChPh.111.5691S. doi:10.1063/1.479957.
Hanaor, Dorian A. H. (2012). "Ab initio study of phase stability in doped TiO₂". Computational Mechanics. 50 (2): 185–194. arXiv:1210.7555. Bibcode:2012CompM..50..185H. doi:10.1007/s00466-012-0728-4. S2CID 95958719.
Ma, Xiaoyao (January 5, 2016). "Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems". The Journal of Chemical Physics. 144 (1): 014101. arXiv:1512.05455. Bibcode:2016JChPh.144a4101M. doi:10.1063/1.4939145. PMC 6910603. PMID 26747795.
Binkley, J. S. (1983). "Theoretical studies of the relative stability of C₂H₂ of Si₂H₂". Journal of the American Chemical Society. 106 (3): 603–609. doi:10.1021/ja00315a024.
Lischka, H.; H-J Kohler (1983). "Ab initio investigation on the lowest singlet and triplet state of Si₂H₂". Journal of the American Chemical Society. 105 (22): 6646–6649. doi:10.1021/ja00360a016.
Colegrove, B. T.; Schaefer, Henry F. III (1990). "Disilyne (Si₂H₂) revisited". Journal of Physical Chemistry. 94 (14): 5593–5602. doi:10.1021/j100377a036.
Grev, R. S.; Schaefer, Henry F. III (1992). "The remarkable monobridged structure of Si₂H₂". Journal of Chemical Physics. 97 (11): 7990. Bibcode:1992JChPh..97.7990G. doi:10.1063/1.463422.
Palágyi, Zoltán; Schaefer, Henry F. III; Kapuy, Ede (1993). "Ge₂H₂: A Molecule with a low-lying monobridged equilibrium geometry". Journal of the American Chemical Society. 115 (15): 6901–6903. doi:10.1021/ja00068a056.
Stephens, J. C.; Bolton, E. E.; Schaefer H. F. III; Andrews, L. (1997). "Quantum mechanical frequencies and matrix assignments to Al₂H₂". Journal of Chemical Physics. 107 (1): 119–223. Bibcode:1997JChPh.107..119S. doi:10.1063/1.474608.
Palágyi, Zoltán; Schaefer, Henry F. III; Kapuy, Ede (1993). "Ga₂H₂: planar dibridged, vinylidene-like, monobridged and trans equilibrium geometries". Chemical Physics Letters. 203 (2–3): 195–200. Bibcode:1993CPL...203..195P. doi:10.1016/0009-2614(93)85386-3.
DeLeeuw, B. J.; Grev, R. S.; Schaefer, Henry F. III (1992). "A comparison and contrast of selected saturated and unsaturated hydrides of group 14 elements". Journal of Chemical Education. 69 (6): 441. Bibcode:1992JChEd..69..441D. doi:10.1021/ed069p441.

harvard.edu

ui.adsabs.harvard.edu

Parr, Robert G.; Craig D. P.; Ross, I. G. (1950). "Molecular Orbital Calculations of the Lower Excited Electronic Levels of Benzene, Configuration Interaction included". Journal of Chemical Physics. 18 (12): 1561–1563. Bibcode:1950JChPh..18.1561P. doi:10.1063/1.1747540.
Friesner, Richard A. (May 10, 2005). "Ab initio quantum chemistry: Methodology and applications". Proceedings of the National Academy of Sciences of the United States of America. 102 (19): 6648–6653. Bibcode:2005PNAS..102.6648F. doi:10.1073/pnas.0408036102. ISSN 0027-8424. PMC 1100737. PMID 15870212.
Werner, H-J; Manby, F. R.; Knowles, P. J. (2003). "Fast linear scaling second-order Møller–Plesset perturbation theory (MP2) using local and density fitting approximations". Journal of Chemical Physics. 118 (18): 8149–8161. Bibcode:2003JChPh.118.8149W. doi:10.1063/1.1564816.
Saebø, S.; Pulay, P. (1987). "Fourth-order Møller–Plessett perturbation theory in the local correlation treatment. I. Method". Journal of Chemical Physics. 86 (2): 914–922. Bibcode:1987JChPh..86..914S. doi:10.1063/1.452293.
Schütz, M.; Hetzer, G.; Werner, H-J (1999). "Low-order scaling local electron correlation methods. I. Linear scaling local MP2". Journal of Chemical Physics. 111 (13): 5691–5705. Bibcode:1999JChPh.111.5691S. doi:10.1063/1.479957.
Hanaor, Dorian A. H. (2012). "Ab initio study of phase stability in doped TiO₂". Computational Mechanics. 50 (2): 185–194. arXiv:1210.7555. Bibcode:2012CompM..50..185H. doi:10.1007/s00466-012-0728-4. S2CID 95958719.
Ma, Xiaoyao (January 5, 2016). "Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems". The Journal of Chemical Physics. 144 (1): 014101. arXiv:1512.05455. Bibcode:2016JChPh.144a4101M. doi:10.1063/1.4939145. PMC 6910603. PMID 26747795.
Grev, R. S.; Schaefer, Henry F. III (1992). "The remarkable monobridged structure of Si₂H₂". Journal of Chemical Physics. 97 (11): 7990. Bibcode:1992JChPh..97.7990G. doi:10.1063/1.463422.
Stephens, J. C.; Bolton, E. E.; Schaefer H. F. III; Andrews, L. (1997). "Quantum mechanical frequencies and matrix assignments to Al₂H₂". Journal of Chemical Physics. 107 (1): 119–223. Bibcode:1997JChPh.107..119S. doi:10.1063/1.474608.
Palágyi, Zoltán; Schaefer, Henry F. III; Kapuy, Ede (1993). "Ga₂H₂: planar dibridged, vinylidene-like, monobridged and trans equilibrium geometries". Chemical Physics Letters. 203 (2–3): 195–200. Bibcode:1993CPL...203..195P. doi:10.1016/0009-2614(93)85386-3.
DeLeeuw, B. J.; Grev, R. S.; Schaefer, Henry F. III (1992). "A comparison and contrast of selected saturated and unsaturated hydrides of group 14 elements". Journal of Chemical Education. 69 (6): 441. Bibcode:1992JChEd..69..441D. doi:10.1021/ed069p441.

nih.gov

ncbi.nlm.nih.gov

Friesner, Richard A. (May 10, 2005). "Ab initio quantum chemistry: Methodology and applications". Proceedings of the National Academy of Sciences of the United States of America. 102 (19): 6648–6653. Bibcode:2005PNAS..102.6648F. doi:10.1073/pnas.0408036102. ISSN 0027-8424. PMC 1100737. PMID 15870212.
Ma, Xiaoyao (January 5, 2016). "Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems". The Journal of Chemical Physics. 144 (1): 014101. arXiv:1512.05455. Bibcode:2016JChPh.144a4101M. doi:10.1063/1.4939145. PMC 6910603. PMID 26747795.

pubmed.ncbi.nlm.nih.gov

Friesner, Richard A. (May 10, 2005). "Ab initio quantum chemistry: Methodology and applications". Proceedings of the National Academy of Sciences of the United States of America. 102 (19): 6648–6653. Bibcode:2005PNAS..102.6648F. doi:10.1073/pnas.0408036102. ISSN 0027-8424. PMC 1100737. PMID 15870212.
Ma, Xiaoyao (January 5, 2016). "Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems". The Journal of Chemical Physics. 144 (1): 014101. arXiv:1512.05455. Bibcode:2016JChPh.144a4101M. doi:10.1063/1.4939145. PMC 6910603. PMID 26747795.

quantum-chemistry-history.com

Parr, Robert G. "History of Quantum Chemistry".

semanticscholar.org

api.semanticscholar.org

Hanaor, Dorian A. H. (2012). "Ab initio study of phase stability in doped TiO₂". Computational Mechanics. 50 (2): 185–194. arXiv:1210.7555. Bibcode:2012CompM..50..185H. doi:10.1007/s00466-012-0728-4. S2CID 95958719.

worldcat.org

Friesner, Richard A. (May 10, 2005). "Ab initio quantum chemistry: Methodology and applications". Proceedings of the National Academy of Sciences of the United States of America. 102 (19): 6648–6653. Bibcode:2005PNAS..102.6648F. doi:10.1073/pnas.0408036102. ISSN 0027-8424. PMC 1100737. PMID 15870212.