ABINITIO CONFORMATION AND IONIZATION-POTENTIALS OF POLYSILANE OLIGOMERS

被引:39
作者
MINTMIRE, JW [1 ]
ORTIZ, JV [1 ]
机构
[1] UNIV NEW MEXICO,DEPT CHEM,ALBUQUERQUE,NM 87131
关键词
D O I
10.1021/ma00182a062
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
22
引用
收藏
页码:1189 / 1191
页数:3
相关论文
共 25 条
[1]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[2]   A MNDO STUDY OF THE STRUCTURAL AND ELECTRONIC-PROPERTIES OF POLYSILANE MODEL COMPOUNDS [J].
BIGELOW, RW ;
MCGRANE, KM .
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 1986, 24 (06) :1233-1245
[4]   MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].
BINKLEY, JS ;
POPLE, JA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236
[5]  
BINKLEY JS, GAUSSIAN 82 RELEASE
[6]   PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .51. IONIZATION-POTENTIALS OF SILANES SINH2N+2 [J].
BOCK, H ;
ENSSLIN, W ;
FEHER, F ;
FREUND, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (03) :668-674
[7]   MANY-BODY CALCULATION OF ELECTRON-AFFINITIES - C-2 AND A PREDICTION FOR P-2 [J].
CEDERBAUM, LS ;
DOMCKE, W ;
NIESSEN, WV .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1977, 10 (14) :2963-2970
[8]   STRUCTURE CALCULATIONS FOR SILANE POLYMERS - POLYSILANE AND POLY(DIMETHYLSILYLENE) [J].
DAMEWOOD, JR ;
WEST, R .
MACROMOLECULES, 1985, 18 (02) :159-164
[9]   PHOTOELECTRON-SPECTRA OF POLYSILANES - CONFORMATIONAL-ANALYSES OF TETRA-SILANE AND PENTA-SILANE [J].
ENSSLIN, W ;
BERGMANN, H ;
ELBEL, S .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 :913-920
[10]   SPECTROSCOPIC STUDIES OF THE CONFORMATIONS OF NORMAL-DECAMETHYLTETRASILANE [J].
ERNST, CA ;
ALLRED, AL ;
RATNER, MA .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1979, 178 (01) :119-131