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Visualisation of hybrid orbitals from C atomic orbitals
(Leanerstv.com, 2016)
Visualisation of hybrid orbitals from C atomic orbitals
(Leanerstv.com, 2011)
EXTENDED HÜCKEL ORBITAL FORCES
(Sociedad Chilena de Química, 2003)
Molecular orbital calculations of hydrogen bonding in ammonia - Formic acid system in the presence of electric fields
(2004)
The effects of electric fields on hydrogen bonding in ammonia-formic acid system, are examined with STO-3G and 6-31 G(d) wavefunctions. This system was used in a previous work to model hydrogen bonding in crystalline amino ...
Molecular Orbital Calculations of Hydrogen Bonding in Ammonia - Formic Acid System in the Presence of Electric Fields
(Sociedad Chilena de Química, 2004)
The Anomalous Deuterium Isotope Effect in the NMR Spectrum of Methane: An Analysis in Localized Molecular Orbitals
(Wiley VCH Verlag, 2008-06)
Anomaly explained: The secondary isotope effect on the carbon–hydrogen indirect nuclear spin–spin coupling constant in methane, which is larger than the primary isotope effect, is explained in terms of contributions to the ...
Communication: Localized molecular orbital analysis of the effect of electron correlation on the anomalous isotope effect in the NMR spin-spin coupling constant in methane
(American Institute Of Physics, 2014-10)
We discuss the effect of electron correlation on the unexpected differential sensitivity (UDS) in the 1J(C?H) coupling constant of CH4 using a decomposition into contributions from localized molecular orbitals and compare ...
Communication: Localized molecular orbital analysis of the effect of electron correlation on the anomalous isotope effect in the NMR spin-spin coupling constant in methane
(American Institute Of Physics, 2014-10-15)
We discuss the effect of electron correlation on the unexpected differential sensitivity (UDS) in the 1J(C-H) coupling constant of CH4 using a decomposition into contributions from localized molecular orbitals and compare ...