Hund's rule and singlet-triplet energy differences for the lowest nπ states of formaldehyde, H2CO von VALENTA DARVESH, K, BOYD, R. J

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Interpretation of Hund's for first-row hydrides AH (A=Li, B, N, F) von VALENTA DARVESH, K, FRICKER, P. D, BOYD, R. J

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Energy component analysis of the Jahn-Teller effect in the methane radical cation von BOYD, R. J, DARVESH, K. V, FRICKER, P. D

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Geometry and energy of amidoenethiolate conformers formed by ring-opening of several thiazolium ions in base: a theoretical study using density functional theory von Mothana, Belquis, Bourgeois, Trevor A., Longley, Rebecca M., Devereaux, Geri-Lynn, McDonald, Robert S., Darvesh, Katherine Valenta

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Nitrogen−Phosphorus Multiple Bond Vibrational Assignments in the Infrared and Raman von Burford, Neil, Clyburne, Jason A. C, Silvert, Donna, Warner, Stephanie, Whitla, W. Alex, Darvesh, Katherine Valenta

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Theoretical evidence for P—S and P—N p π— p π bonding within the heterocyclopentadienyl framework von MacLennan, Martin T., Darvesh, Katherine Valenta

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Hund's rule and singlet-triplet energy differences for molecular systems von DARVESH, K. V, BOYD, R. J

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Singlet-triplet energy component differences in homonuclear diatomics: A multi-reference configuration interaction study of Hund's rule von Darvesh, Katherine Valenta, Fricker, Paul D., Boyd, Russell J.

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Configuration selection in the MC SCF method. The van der Waals X 2Σ + state of LiHe von Darvesh, Katherine Valenta, Grein, Friedrich

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Electronically excited states of chlorine monofluoride: A multi-reference configuration interaction study von Darvesh, Katherine Valenta, Boyd, Russell J., Peyerimhoff, Sigrid D.

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Recombination of methyl radicals: ab initio potential and transition-state theory calculations von Darvesh, Katherine Valenta, Boyd, Russell J, Pacey, Philip D

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