Correlated molecular and multicenter multipole moments in ground and excited states from multiple reference double-excitation configuration interaction calculations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference51 articles.
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1. Periodic Hartree-Fock calculation of the A1g (Tz) and Eg (Tx, Ty) phonon modes in ice VIII;Journal of Molecular Structure;1997-12
2. Toward Improved Force Fields. 1. Multipole-Derived Atomic Charges;The Journal of Physical Chemistry A;1997-07-01
3. Benchmark ab initio calculations of formaldehyde, H2CO;Journal of Molecular Structure: THEOCHEM;1997-07
4. Molecular Electrostatics;Chemical Reviews;1995-06
5. Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides;Journal of Computational Chemistry;1993-08
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