Influence of the atomic basis set on the calculated molecular properties and on the inversion potential of ammonia
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
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1. Analytic description of inversion vibrational mode for ammonia molecule;Vibrational Spectroscopy;2017-11
2. Program package for numerical solving time-independent Schrödinger equation for vibrational problems: Inclusion of coordinate dependent reduced masses;Vibrational Spectroscopy;2012-01
3. Equilibrium inversion barrier of NH3from extrapolated coupled-cluster pair energies;Journal of Computational Chemistry;2001-07-27
4. Quantum chemical study of relative stability, electric field gradients at nitrogen atoms, rotational constants and electric dipole moments of all uracil, thymine and cytosine isomers;Journal of Molecular Structure;1993-12
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