Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: Focus on correlation with experiment

Journal of Computational Chemistry

Volumn 24, Issue 4, 2003, Pages 453-463

  Matta, Chérif F ^a  

^a UNIVERSITY OF TORONTO   (Canada)

Author keywords

Atoms in molecules (AIM); Electron density; Molecular similarity; Quantitative structure to activity relationships (QSAR); Spin spin coupling constants

Indexed keywords

AMINO ACIDS; ATOMS; BIOCHEMISTRY; CORRELATION METHODS; FREE ENERGY; HYDRATION; MATHEMATICAL MODELS; MOLECULES; POLYCYCLIC AROMATIC HYDROCARBONS; STATISTICAL METHODS;

BIOPHYSICAL PROBLEMS; PAIR DENSITY; PARTIAL MOLAR VOLUMES; PHYSICO-CHEMICAL PROBLEMS; RESONANCE ENERGIES; SPIN-SPIN COUPLING CONSTANTS;

QUANTUM THEORY;

AMINO ACID; MORPHINE; POLYCYCLIC AROMATIC HYDROCARBON;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; ELECTRON; GENETICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STRUCTURE ACTIVITY RELATION; THEORETICAL MODEL;

ALGORITHMS; AMINO ACIDS; COMPUTER SIMULATION; ELECTRONS; ELECTROSTATICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, THEORETICAL; MOLECULAR STRUCTURE; MORPHINE; POLYCYCLIC HYDROCARBONS, AROMATIC; QUANTUM THEORY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0037343239     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10208     Document Type: Article

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