COSMO implementation in TURBOMOLE: Extension of an efficient quantum chemical code towards liquid systems

Physical Chemistry Chemical Physics

Volumn 2, Issue 10, 2000, Pages 2187-2193

  Schäfer, Ansgar ^a   Klamt, Andreas ^b   Sattel, Diana ^a   Lohrenz, John C W ^c   Eckert, Frank ^b  

^a BASF SE   (Germany)

^b COSMOlogic GmbH and Co KG ^*  (Germany)

^c BAYER AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

TRIAZINE DERIVATIVE;

ALGORITHM; ARTICLE; CALCULATION; CATALYSIS; CHEMICAL STRUCTURE; COMPUTER PROGRAM; ISOMER; LIQUID; MOLECULAR MODEL; PRODUCTIVITY; QUANTUM CHEMISTRY; SOLVATION; THEORY; THERMODYNAMICS;

EID: 0034656445     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b000184h     Document Type: Article

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