Ab initio molecular dynamics with density functional theory

Annual Review of Physical Chemistry

Volumn 53, Issue , 2002, Pages 249-290

  Tse, John S ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Molecular structures; Reaction mechanisms; Spectroscopic properties

Indexed keywords

DRUG; WATER;

BIOLOGICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; REVIEW; SOLUTION AND SOLUBILITY; THEORETICAL MODEL; THERMODYNAMICS;

ELECTRONS; MODELS, BIOLOGICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PHARMACEUTICAL PREPARATIONS; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 0036025449     PISSN: 0066426X     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.physchem.53.090401.105737     Document Type: Article

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