CALCULATION OF MOLECULAR POLARIZABILITIES - INDO METHOD APPLIED TO SOME AROMATIC-HYDROCARBONS

被引:13
作者
BOUNDS, PJ [1 ]
机构
[1] UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,LANCASHIRE,ENGLAND
关键词
D O I
10.1016/0009-2614(80)80080-7
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:143 / 146
页数:4
相关论文
共 26 条
[1]   NATURE OF BONDS BETWEEN CARBON ATOMS HOW THEY VARY WITH ENVIRONMENT [J].
BASTIANSEN, O ;
TRAETTEBERG, M .
TETRAHEDRON, 1962, 17 (3-4) :147-&
[2]   POLARIZABILITY OF LICL AS A FUNCTION OF BOND DISTANCE [J].
BOUNDS, DG ;
CLARKE, JHR ;
HINCHLIFFE, A .
CHEMICAL PHYSICS LETTERS, 1977, 45 (02) :367-369
[3]   MOLECULAR-ORBITAL STUDY OF EFFECT OF AN EXTERNAL ELECTRIC-FIELD ON METHANOL [J].
BOUNDS, DG ;
HINCHLIFFE, A ;
BARBER, M .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 37 (02) :283-288
[4]   EFFECTIVE MOLECULAR POLARIZABILITIES IN SOME AROMATIC HYDROCARBON CRYSTALS [J].
BOUNDS, PJ ;
MUNN, RW .
CHEMICAL PHYSICS, 1977, 24 (03) :343-353
[5]   ORIGIN OF STARK SHIFTS AND SPLITTINGS IN MOLECULAR CRYSTAL SPECTRA .1. EFFECTIVE MOLECULAR POLARIZABILITY AND LOCAL ELECTRIC-FIELD - DURENE AND NAPHTHALENE [J].
CHEN, FP ;
HANSON, DM ;
FOX, D .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (09) :3878-3885
[6]   ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS [J].
COHEN, HD ;
ROOTHAAN, CC .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S034-+
[7]   MNDO CALCULATIONS OF MOLECULAR ELECTRIC POLARIZABILITIES, HYPERPOLARIZABILITIES, AND NON-LINEAR OPTICAL COEFFICIENTS [J].
DEWAR, MJS ;
YAMAGUCHI, Y ;
SUCK, SH .
CHEMICAL PHYSICS LETTERS, 1978, 59 (03) :541-544
[8]   STARK EFFECT IN MOLECULAR-CRYSTALS AND INTERNAL FIELD [J].
DUNMUR, DA ;
MILLER, WH ;
MUNN, RW .
CHEMICAL PHYSICS LETTERS, 1977, 47 (03) :592-596
[9]   PROPERTIES OF BENZENE MOLECULE NEAR HARTREE-FOCK LIMIT [J].
ERMLER, WC ;
KERN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (08) :3458-3465
[10]   FINITE-FIELD METHOD CALCULATIONS OF MOLECULAR POLARIZABILITIES .1. THEORETICAL BASIS AND LIMITATIONS OF SCF AND GALERKIN TREATMENTS [J].
GREADY, JE ;
BACSKAY, GB ;
HUSH, NS .
CHEMICAL PHYSICS, 1977, 22 (01) :141-150