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CAN THE LINEAR COMBINATION OF ATOMIC ORBITAL COEFFICIENTS (THE WEIGHT FUNCTION) BE USED TO IMPROVE THE WAVE-FUNCTION
(Elsevier Science BvAmsterdamHolanda, 1993)
Annihilation dynamics of positrons in molecular environments: Theoretical study of low-energy positron-C2H4 scattering
(American Physical SocCollege PkEUA, 1996)
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 ...
Theoretical and experimental study of the infrared spectrum of isonicotinamide
(Elsevier B.V., 2014)
The Raman spectrum of the squarate (C4O4-2) anion: An ab initio basis set dependence study
(Soc Brasileira QuimicaSao PauloBrasil, 2002)
Fukui and dual-descriptor matrices in the basis-set representation: a spin-free approach
(ELSEVIER SCIENCE PUBLISHERS B.V., 2012)
Fully relativistic prolapse-free Gaussian basis sets: The actinides and (81)Tl-(88)Ra
(American Institute of Physics (AIP), 2008-09-14)