Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer

ChemPhysChem

Volumn 9, Issue 11, 2008, Pages 1636-1644

  Pitoňák, Michal ^a   Riley, Kevin E ^a   Neogrády, Pavel ^b   Hobza, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b Comenius University ^*  (Slovakia)

Author keywords

Ab initio calculations; Correlation energy; Hydrogen bonds; Nucleotides; Stacking interactions

Indexed keywords

AROMATIC COMPOUNDS; BINDING ENERGY; CALCULATIONS; COMPUTATION THEORY; DISPERSIONS; EXTRAPOLATION; HYDROGEN BONDS; NUCLEOTIDES; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY;

AB INITIO CALCULATIONS; COMPLETE BASIS SET LIMIT; COMPUTATIONAL PROCEDURES; CORRELATION ENERGY; INTERACTION ENERGIES; RELIABILITY AND ROBUSTNESS; STACKING INTERACTION; SYMMETRY ADAPTED PERTURBATION THEORY;

DIMERS;

EID: 49649120643     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800286     Document Type: Article

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