SEMI-EMPIRICAL QUANTUM-MECHANICAL CALCULATION OF THE ELECTRONIC-STRUCTURE OF DNA - DOUBLE-MINIMUM POTENTIAL CURVES OF THE SINGLET AND TRIPLET EXCITED ELECTRONIC STATES, TUNNELING AND TAUTOMERIC EQUILIBRIUM OF THE NH=N AND O=HN BONDS IN THE ADENINE-THYMINE BASE PAIR

被引:20
作者
GRINBERG, H
CAPPARELLI, AL
SPINA, A
MARANON, J
SORARRAIN, OM
机构
[1] UNIV NACL LA PLATA, FAC CIENCIAS EXACTAS, DEPT FIS, FIS TEORICA LAB, LA PLATA, ARGENTINA
[2] UNIV BUENOS AIRES, FAC FARM & BIOQUIM, DEPT QUIM ORGAN, BUENOS AIRES, ARGENTINA
[3] INST INVEST FIS QUIM TEOR & APLICAD, LA PLATA, BUENOS AIRES, ARGENTINA
关键词
D O I
10.1021/j150619a013
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
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页码:2751 / 2759
页数:9
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