Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates

Physical Chemistry Chemical Physics

Volumn 2, Issue 10, 2000, Pages 2177-2186

  Billeter, Salomon R ^a   Turner, Alexander J ^a   Thiel, Walter ^b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; ENERGY; ENZYME MECHANISM; GEOMETRY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; REACTION ANALYSIS;

EID: 0034658025     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a909486e     Document Type: Article

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