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The effect of lone pairs and electronegativity on the indirect nuclear spin‐spin coupling constants in CH₂X (X=CH₂, NH, O, S): Ab initio calculations using optimized contracted basis sets
(American Institute of Physics, 2001-07)
The indirect nuclear spin–spin coupling constants of C₂H4, CH₂NH, CH₂O,CH₂O, and CH₂S were investigated by means of correlated ab initio calculations at the level of the second order polarization propagator approximation ...
Effect of potential screening on the H2 autoionizing states
(American Physical SocietyGrupo de Física Atómica y MolecularEstados Unidos, 2020)
Spectroscopic and theoretical studies of some 2-ethylsulfinyl-(4 '-substituted)-phenylthioacetates
(Elsevier Science BvAmsterdamHolanda, 2010)
Artificial Neural Networks and the Study of the Psychoactivity of Cannabinoid Compounds
(WILEY-BLACKWELL, 2010)
Cannabinoid compounds have widely been employed because of its medicinal and psychotropic properties. These compounds are isolated from Cannabis sativa (or marijuana) and are used in several medical treatments, such as ...
Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects
(AMER INST PHYSICSMELVILLE, 2012)
The photophysics of the 1-nitronaphthalene molecular system, after the absorption transition to the first singlet excited state, is theoretically studied for investigating the ultrafast multiplicity change to the triplet ...