PREDICTION OF LONGITUDINAL ELECTRIC POLARIZABILITIES OF CONJUGATED CHAIN MOLECULES BY SCALING OF ABINITIO CALCULATIONS

被引：38

作者：

BODART, VP ^{[1
]}

DELHALLE, J ^{[1
]}

ANDRE, JM ^{[1
]}

ZYSS, J ^{[1
]}

机构：

[1] CTR NATL ETUD TELECOMMUN,F-92220 BAGNEUX,FRANCE

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1985年 / 63卷 / 07期

关键词：

D O I：

10.1139/v85-273

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1631 / 1634

页数：4

共 21 条

[1] THE STRUCTURE OF ETHYLENE FROM INFRARED SPECTRA [J].

ALLEN, HC ;

PLYLER, EK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1958, 80 (11) :2673-2677

[2] AN ELECTRON DIFFRACTION REINVESTIGATION OF THE MOLECULAR STRUCTURE OF 1,3-BUTADIENE [J].

ALMENNINGEN, A ;

BASTIANSEN, O ;

TRAETTEBERG, M .

ACTA CHEMICA SCANDINAVICA, 1958, 12 (06) :1221-1225

[3] MEASUREMENT OF DISPERSION IN POLARIZABILITY ANISOTROPIES [J].

ALMS, GR ;

BURNHAM, AK ;

FLYGARE, WH .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3321-3326

[4] HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES .8. ROTATIONAL SPECTRA OF ACETYLENE, DIACETYLENE, DIACETYLENE-D2, AND DIMETHYLACETYLENE [J].

CALLOMON, JH ;

STOICHEFF, BP .

CANADIAN JOURNAL OF PHYSICS, 1957, 35 (04) :373-&

[5] ABINITIO CALCULATION OF THE DIPOLE POLARIZABILITIES OF UNSATURATED-HYDROCARBONS [J].

CHABLO, A ;

HINCHLIFFE, A .

CHEMICAL PHYSICS LETTERS, 1980, 72 (01) :149-151

[6]

Cohen H. D., 1965, J CHEM PHYS, V43, P534

[7] POLARIZABILITIES OF LONG CHAIN CONJUGATED MOLECULES [J].

DAVIES, PL .

TRANSACTIONS OF THE FARADAY SOCIETY, 1952, 48 (09) :789-795

[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[9] GROUND STATE ROTATIONAL CONSTANTS OF H2CCD2 AND C2D4 AND GEOMETRY OF ETHYLENE [J].

DUNCAN, JL ;

VANLERBE.D ;

WRIGHT, IJ .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 42 (03) :463-&

[10]

FUKUY T, 1971, B CHEM SOC JPN, V44, P386

← 1 2 3 →