DNA base stacking: The stacked uracil/uracil and thymine/thymine minima

Journal of Computational Chemistry

Volumn 33, Issue 27, 2012, Pages 2161-2172

  Hunter, Ruairidh S ^a   Van Mourik, Tanja ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

base pairs; base stacking; density functional theory; M06 2X, dispersion; solvation; stacked thymine thymine; stacked uracil uracil; stacking

Indexed keywords

AROMATIC COMPOUNDS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ETHERS; MOLECULES; MONOMERS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SOLVATION; SOLVENTS;

1 ,4-DIOXANE; BASE PAIRS; BASE STACKING; BASIS SETS; CCSD; CENTER-OF-MASS; CONTINUUM SOLVENTS; EXCELLENT PERFORMANCE; GASPHASE; INTERACTION ENERGIES; POLARIZABLE CONTINUUM MODEL; STACKED THYMINE/THYMINE; STACKED URACIL/URACIL; STACKING ENERGY; THYMINE DIMERS; TRANSITION STATE; URACIL DIMERS;

DIMERS;

EID: 84962424436     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23052     Document Type: Article

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