Basis set convergence of electric properties in HF and DFT calculations of nucleic acid bases

International Journal of Quantum Chemistry

Volumn 109, Issue 2, 2009, Pages 285-293

  Campos, C T ^a   Jorge, F E ^a  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

Author keywords

AXZP basis sets; Benzene; Electric properties; HF and DFT calculations; Nucleic acid bases; Pyridine; Three related bases

Indexed keywords

BENZENE; BIOMOLECULES; DENSITY FUNCTIONAL THEORY; ELECTRIC DIPOLE MOMENTS; MOLECULAR ORBITALS; NUCLEIC ACIDS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; PYRIDINE; SULFUR COMPOUNDS;

AB INITIO; AXZP BASIS SETS; DIPOLE POLARIZABILITIES; FLUOROURACIL; HF AND DFT CALCULATIONS; HIERARCHICAL SEQUENCES; NUCLEIC ACID BASES; OPTIMIZED GEOMETRIES; PLESSET PERTURBATION THEORIES; POLARIZABILITY ANISOTROPIES; POLARIZATION FUNCTIONS; SYSTEMATIC STUDIES; THREE RELATED BASES; ZETA QUALITIES;

ELECTRIC PROPERTIES;

EID: 58149215527     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21792     Document Type: Article

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