THEORETICAL EVIDENCE FOR 2 GEOMETRICAL-ISOMERS OF AGO2

被引:13
作者
ILLAS, F
RUBIO, J
RICART, JM
CABOT, PL
机构
[1] UNIV BARCELONA,FAC QUIM TARRAGONA,DEPT QUIM FIS,E-43005 TARRAGONA,SPAIN
[2] UNIV BARCELONA,FAC QUIM,DEPT QUIM FIS,E-08028 BARCELONA,SPAIN
关键词
D O I
10.1021/ja00285a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:7893 / 7897
页数:5
相关论文
共 18 条
[1]   ABINITIO STUDY OF THE SUPEROXIDES OF GROUP-13 METALS [J].
CABOT, PL ;
ILLAS, F ;
RICART, JM ;
RUBIO, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (01) :30-33
[2]  
DAUDEY JP, 1981, CURRENT ASPECTS QUAN
[3]   THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].
DURAND, P ;
BARTHELAT, JC .
THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302
[4]  
HOWARD JA, 1985, J PHYS CHEM, V88, P4351
[5]   ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS [J].
HURON, B ;
MALRIEU, JP ;
RANCUREL, P .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5745-5759
[6]   CU AS A ONE-ELECTRON ATOM - MOLECULAR-STRUCTURE AND DISSOCIATION-ENERGY OF CUOH [J].
ILLAS, F ;
RUBIO, J ;
BARTHELAT, JC .
CHEMICAL PHYSICS LETTERS, 1985, 119 (05) :397-402
[7]   MOLECULAR-STRUCTURE OF CUOH AND CU(OH)2- - AN ABINITIO STUDY [J].
ILLAS, F ;
RUBIO, J ;
CENTELLAS, F ;
VIRGILI, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (22) :5225-5228
[8]   THEORETICAL-STUDY OF THE LOWEST STATES OF CSH AND CS-2 [J].
JEUNG, GH ;
SPIEGELMANN, F ;
DAUDEY, JP ;
MALRIEU, JP .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (15) :2659-2675
[9]   STABILITY OF SMALL COPPER CLUSTERS - CU-3 AND CU-4 [J].
JEUNG, GH ;
PELISSIER, M ;
BARTHELAT, JC .
CHEMICAL PHYSICS LETTERS, 1983, 97 (4-5) :369-372
[10]   METAL ATOM CHEMISTRY AND SURFACE-CHEMISTRY .1. DIOXYGEN-SILVER, AG+,O2-, AND TETRAOXYGEN-SILVER, AG+,O4-, REACTIVE INTERMEDIATES IN SILVER ATOM DIOXYGEN SYSTEM - RELEVANCE TO SURFACE-CHEMISTRY [J].
MCINTOSH, D ;
OZIN, GA .
INORGANIC CHEMISTRY, 1977, 16 (01) :59-63