Chemical Reviews, Vol.99, No.11, 3247-3276, 1999
Structure, energetics, and dynamics of the nucleic acid base pairs: Nonempirical ab initio calculations
Keywords:DENSITY-FUNCTIONAL THEORY;SET SUPERPOSITION ERROR;PARTICLE-MESH-EWALD;HYDROGEN-BONDED COMPLEXES;POTENTIAL-ENERGYSURFACE;ELECTRON CORRELATION CONTRIBUTIONS;INTRAMOLECULARPROTON-TRANSFER;BIOLOGICALLY RELEVANT LIGANDS;STRANDEDGUANINE TETRAPLEX;STABILIZED RARE TAUTOMERS