Generalized hybrid orbitals in the FA-ADMA method

Zeitschrift fur Physikalische Chemie

Volumn 220, Issue 7, 2006, Pages 927-944

  Eckard, Simon ^a   Exner, Thomas E ^a  

^a UNIVERSITY OF KONSTANZ   (Germany)

Author keywords

Ab Initio Quality; Border Region; Fuzzy Density Fragmentation; Proteins; QM MM

Indexed keywords

ATOMS; CALCULATIONS; MACROMOLECULES; PROTEINS;

AB INITIO; BORDER REGIONS; FUZZY DENSITY; GENERALIZED HYBRID ORBITALS; QM/MM; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMISTRY COMPUTATIONS; REPARAMETERIZATION;

QUANTUM CHEMISTRY;

EID: 33746318157     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2006.220.7.927     Document Type: Article

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