Molecular quantum mechanics — what now and where next?
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference22 articles.
1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
2. A systematic study of the convergence and additivity of correlation and basis set effects on the force constants of small molecules: HF, HCN, and NH3
3. Rotation‐Vibration Spectra of Diatomic and Simple Polyatomic Molecules with Long Absorbing Paths. IX. The Spectra of the HCN and DCN Molecules from 2.5μ to 0.5μ
4. The anharmonic force field and equilibrium structure of HCN and HCP
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3. Extension of a regularizing algorithm for the determination of equilibrium geometry and force field of free molecules from joint use of electron diffraction, molecular spectroscopy and ab initio data on systems with large-amplitude oscillatory motion;Journal of Molecular Structure;1999-08
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5. Ab initio study of cyanoguanidine isomers;Chemical Physics Letters;1995-06
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