MODIFIED ALL-VALENCE INDO/SPD METHOD FOR GROUND AND EXCITED-STATE PROPERTIES OF ISOLATED MOLECULES AND MOLECULAR-COMPLEXES

被引:104
作者
LIPINSKI, J
机构
关键词
D O I
10.1002/qua.560340504
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
收藏
页码:423 / 435
页数:13
相关论文
共 128 条
[2]   CALCULATED SPECTRA OF HYDRATED IONS OF THE 1ST TRANSITION-METAL SERIES [J].
ANDERSON, WP ;
EDWARDS, WD ;
ZERNER, MC .
INORGANIC CHEMISTRY, 1986, 25 (16) :2728-2732
[3]   OPTIMIZED PARAMETERS FOR A-DNA AND B-DNA [J].
ARNOTT, S ;
HUKINS, DWL .
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1972, 47 (06) :1504-&
[4]   LEAST-SQUARES REFINEMENT OF CRYSTAL AND MOLECULAR STRUCTURES OF DNA AND RNA FROM X-RAY DATA AND STANDARD BOND LENGTHS AND ANGLES [J].
ARNOTT, S ;
DOVER, SD ;
WONACOTT, AJ .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1969, B 25 :2192-&
[5]   UNIVERSAL CNDO/2 METHOD (CNDO/2-U) [J].
BABAAHMED, A ;
GAYOSO, J .
THEORETICA CHIMICA ACTA, 1983, 62 (06) :507-521
[6]   INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP THEORY FOR TRANSITION-METAL COMPLEXES - FE, CO AND CU CHLORIDES [J].
BACON, AD ;
ZERNER, MC .
THEORETICA CHIMICA ACTA, 1979, 53 (01) :21-54
[7]   ELECTRONIC PROPERTIES OF METAL CLUSTERS [J].
BAETZOLD, RC ;
MACK, RE .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1513-1520
[8]  
BALLHAUSEN CJ, 1977, MODERN THEORETICAL C, V8, P129
[9]  
BANDURA AV, 1976, TEOR EKSP KHIM, V12, P598
[10]   ELECTRONIC STRUCTURES OF METAL HEXACARBONYLS [J].
BEACH, NA ;
GRAY, HB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (21) :5713-&