Optimized Solution Procedure of the G-Particle−Hole Hypervirial Equation for Multiplets: Application to Doublet and Triplet States
Alcoba, Diego R, Valdemoro, Carmela, Tel, Luis M, Pérez-Romero, Encarnación, Oña, Ofelia B
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.03.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.03.2011)
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Journal Article
Gauche effect. Localized molecular orbitals and excited-state geometries in fluoromethanol
Wolfe, Saul, Tel, Luis M, Haines, W. J, Robb, M. A, Csizmadia, I. G
Published in Journal of the American Chemical Society (01.07.1973)
Published in Journal of the American Chemical Society (01.07.1973)
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Journal Article
A theoretical study of the Edward–Lemieux effect (the anomeric effect). The stereochemical requirements of adjacent electron pairs and polar bonds
Wolfe, Saul, Rauk, Arvi, Tel, Luis M., Csizmadia, I. G.
Published in Journal of the Chemical Society. B. Physical organic (1971)
Published in Journal of the Chemical Society. B. Physical organic (1971)
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Journal Article
Combining the G-particle-hole hypervirial equation and the hermitian operator method to study electronic excitations and de-excitations
Valdemoro, Carmela, Alcoba, Diego R., Oña, Ofelia B., Tel, Luis M., Pérez-Romero, Encarnación
Published in Journal of mathematical chemistry (01.03.2012)
Published in Journal of mathematical chemistry (01.03.2012)
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Journal Article
The H4 model revisited within the framework of the G-particle-hole Hypervirial equation
Valdemoro, Carmela, Alcoba, Diego R., Oña, Ofelia B., Tel, Luis M., Pérez-Romero, Encarnación, Oliva, Josep M.
Published in Chemical physics (03.05.2012)
Published in Chemical physics (03.05.2012)
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Journal Article