A MOLECULAR-ORBITAL STUDY OF AZOLE-LI+ COMPLEXES

被引:53
作者
ALCAMI, M [1 ]
MO, O [1 ]
YANEZ, M [1 ]
机构
[1] UNIV AUTONOMA MADRID,FAC CIENCIAS,DEPT QUIM CXIV,CANTO BLANCO,E-28049 MADRID,SPAIN
关键词
D O I
10.1021/j100347a014
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:3929 / 3936
页数:8
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[1]   DESCRIPTION OF CONJUGATION AND HYPERCONJUGATION IN TERMS OF ELECTRON DISTRIBUTIONS [J].
BADER, RFW ;
SLEE, TS ;
CREMER, D ;
KRAKA, E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (15) :5061-5068
[2]   THE CHARACTERIZATION OF ATOMIC INTERACTIONS [J].
BADER, RFW ;
ESSEN, H .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :1943-1960
[3]   BONDED AND NONBONDED CHARGE CONCENTRATIONS AND THEIR RELATION TO MOLECULAR-GEOMETRY AND REACTIVITY [J].
BADER, RFW ;
MACDOUGALL, PJ ;
LAU, CDH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (06) :1594-1605
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[5]  
BINKLEY JS, GAUSSIAN 80
[6]   EXPERIMENTAL AND THEORETICAL-STUDIES OF THE GAS-PHASE PROTONATION OF ALIPHATIC PHOSPHINE OXIDES AND PHOSPHORAMIDES [J].
BOLLINGER, JC ;
HOURIET, R ;
KERN, CW ;
PERRET, D ;
WEBER, J ;
YVERNAULT, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (19) :5352-5358
[7]  
BOWERS MT, 1971, J AM CHEM SOC, V93, P4314
[8]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[9]   INTRINSIC BASICITIES OF AMMONIA, METHYLAMINES, ANILINES, AND PYRIDINE FROM GAS-PHASE PROTON-EXCHANGE EQUILIBRIA [J].
BRIGGS, JP ;
YAMDAGNI, R ;
KEBARLE, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :5128-&
[10]   PREDICTION OF THE STRUCTURES OF HYDROGEN-BONDED COMPLEXES USING THE LAPLACIAN OF THE CHARGE-DENSITY [J].
CARROLL, MT ;
CHANG, C ;
BADER, RFW .
MOLECULAR PHYSICS, 1988, 63 (03) :387-405