Nonempirical quantum mechanical calculations of three contributions to the variation of nuclear magnetic shielding constants with intermolecular interactions. I. Method and applications to water and methane
Author:
Publisher
Elsevier BV
Subject
General Engineering
Reference56 articles.
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1. Quantum-chemical study of the effects of noncovalent interactions on the nuclear magnetic screening constants of pyrimidine base associates;Journal of Structural Chemistry;2007-01
2. Semiempirical calculations of the dispersion contribution to the proton chemical shift;Journal of Magnetic Resonance (1969);1992-10
3. Abinitiocalculations of the intermolecular chemical shift in nuclear magnetic resonance in the gas phase and for adsorbed species;The Journal of Chemical Physics;1992-07
4. Theoretical variation of the Hα chemical shift in Acetyl-glycyl-N-methylamide and oligoglycines with molecular conformation and environment;Biochemical and Biophysical Research Communications;1990-09
5. Medium Effects on the Molecular Electronic Structure. III. Quantum-Chemical Analysis of Solvent-Induced13C NMR Chemical Shift Changes of Some Polyene Compounds;Bulletin of the Chemical Society of Japan;1990-05
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