Felipe Bulat - Publications
Affiliations: | 2000-2005 | Facultad de Quimica | Pontificia Universidad Catolica Chile |
Year | Citation | Score | |||
---|---|---|---|---|---|
2012 | Politzer P, Riley KE, Bulat FA, Murray JS. Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam's Razor) Computational and Theoretical Chemistry. 998: 2-8. DOI: 10.1016/J.Comptc.2012.06.007 | 0.328 | |||
2010 | Bulat FA, Toro-Labbé A, Brinck T, Murray JS, Politzer P. Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies. Journal of Molecular Modeling. 16: 1679-91. PMID 20361346 DOI: 10.1007/S00894-010-0692-X | 0.421 | |||
2006 | Gutiérrez-Oliva S, Joubert L, Adamo C, Bulat FA, Zagal JH, Toro-Labbé A. Bridging the gap between the topological and orbital description of hydrogen bonding: the case of the formic acid dimer and its sulfur derivatives. The Journal of Physical Chemistry. A. 110: 5102-7. PMID 16610831 DOI: 10.1021/Jp057139M | 0.473 | |||
2005 | Bulat FA, Toro-Labbé A, Champagne B, Kirtman B, Yang W. Density-functional theory (hyper)polarizabilities of push-pull pi-conjugated systems: treatment of exact exchange and role of correlation. The Journal of Chemical Physics. 123: 014319. PMID 16035847 DOI: 10.1063/1.1926275 | 0.407 | |||
2004 | Bulat FA, Chamorro E, Fuentealba P, Toro-Labbé A. Condensation of Frontier Molecular Orbital Fukui Functions Journal of Physical Chemistry A. 108: 342-349. DOI: 10.1021/Jp036416R | 0.423 | |||
2003 | Bulat FA, Toro-Labbe A. An Extension of the Hammond Postulate. Structural Effects on the Classification of Chemical Reactions Journal of Physical Chemistry A. 107: 3987-3994. DOI: 10.1021/Jp022025L | 0.427 | |||
2002 | Bulat F, Toro-Labbé A. A theoretical study of the rotational isomerization of glyoxal and halogen derivatives Chemical Physics Letters. 354: 508-517. DOI: 10.1016/S0009-2614(02)00186-0 | 0.483 | |||
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