PHOTODISSOCIATION OF (CO)2+ - THEORETICAL-STUDIES OF GROUND 2BU AND EXCITED 2BG POTENTIAL-ENERGY SURFACES

被引:42
作者
BLAIR, JT [1 ]
WEISSHAAR, JC [1 ]
CARPENTER, JE [1 ]
WEINHOLD, F [1 ]
机构
[1] UNIV WISCONSIN,DEPT CHEM,MADISON,WI 53706
关键词
D O I
10.1063/1.453584
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:392 / 410
页数:19
相关论文
共 49 条
[1]   PHOTOFRAGMENT SPECTROSCOPY AND POTENTIAL CURVES OF KR2+ [J].
ABOUAF, R ;
HUBER, BA ;
COSBY, PC ;
SAXON, RP ;
MOSELEY, JT .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2406-2410
[2]   GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS [J].
BROOKS, BR ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) :5092-5106
[3]   ORTHOGONALIZATION PROCEDURES AND THE LOCALIZATION OF WANNIER FUNCTIONS [J].
CARLSON, BC ;
KELLER, JM .
PHYSICAL REVIEW, 1957, 105 (01) :102-103
[4]  
CARPENTER JE, 1985, WISTCI689 U WISC
[5]  
CASTRO SC, 1981, J CHEM PHYS, V74, P550
[6]   HIGH-PRESSURE ION-MOLECULE REACTIONS IN CARBON MONOXIDE AND CARBON MONOXIDE-METHANE MIXTURES [J].
CHONG, SL ;
FRANKLIN, JL .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (04) :1487-&
[7]   ABSORPTION SPECTRA OF KETONES .3. THE LONG-WAVELENGTH BAND OF ALPHA-BETA-UNSATURATED KETONES [J].
COOKSON, RC ;
DANDEGAONKER, SH .
JOURNAL OF THE CHEMICAL SOCIETY, 1955, :1651-1654
[8]  
Davidson E., UNPUB
[9]   SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY [J].
DAVIDSON, ER .
CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :565-567
[10]  
DUNNING TH, 1977, MODERN THEORETICAL C, V2, pCH1