THE MOLECULAR-STRUCTURE AND SPECTRA OF CUBANE - AN ABINITIO INVESTIGATION

被引:42
作者
ALMLOF, J
JONVIK, T
机构
关键词
D O I
10.1016/0009-2614(82)80273-X
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:267 / 270
页数:4
相关论文
共 14 条
[1]  
ALMLOF J, UNPUB J COMPUT CHEM
[2]  
Almlof J., UNPUB
[3]   ELECTRONIC-STRUCTURE OF CUBANE (C8H8) AS REVEALED BY PHOTOELECTRON-SPECTROSCOPY [J].
BISCHOF, P ;
EATON, PE ;
GLEITER, R ;
HEILBRONNER, E ;
JONES, TB ;
MUSSO, H ;
SCHMELZER, A ;
STOBER, R .
HELVETICA CHIMICA ACTA, 1978, 61 (02) :547-557
[4]   VIBRATIONAL-SPECTRA OF CUBANE [J].
COLE, TW ;
PERKINS, J ;
PUTNAM, S ;
PAKES, PW ;
STRAUSS, HL .
JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (15) :2185-2189
[5]   ABINITIO CALCULATIONS OF EQUILIBRIUM STRUCTURE OF CYCLOBUTANE [J].
CREMER, D .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) :1307-1309
[6]   VIBRATIONAL-SPECTRA OF CUBANE AND 4 OF ITS DEUTERATED DERIVATIVES [J].
DELLA, EW ;
MCCOY, EF ;
PATNEY, HK ;
JONES, GL ;
MILLER, FA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (25) :7441-7457
[7]   CUBANE SYSTEM [J].
EATON, PE ;
COLE, TW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (05) :962-&
[8]   X-RAY STRUCTURE DETERMINATION OF CUBANE [J].
FLEISCHER, EB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (18) :3889-&
[9]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[10]   CALCULATION OF BOND LENGTHS AND ANGLES OF HYDROCARBONS BY ITERATIVE MOA METHOD [J].
KOVACEVI.K ;
MAKSIC, ZB .
JOURNAL OF ORGANIC CHEMISTRY, 1974, 39 (04) :539-545