PHOTOELECTRON-SPECTRA OF AND ABINITIO CALCULATIONS ON CHLOROBENZENES .1. CHLOROBENZENE AND DICHLOROBENZENES

被引：54

作者：

RUSCIC, B

KLASINC, L

WOLF, A

KNOP, JV

机构：

[1] UNIV DUSSELDORF, RECHENZENTRUM, D-4000 DUSSELDORF 1, GERMANY

[2] INST THEORET CHEM, DUSSELDORF, GERMANY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1981年 / 85卷 / 11期

关键词：

D O I：

10.1021/j150611a007

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

页码：1486 / 1489

页数：4

共 32 条

[1]

Almlof J., 1973, Journal of Electron Spectroscopy and Related Phenomena, V2, P51, DOI 10.1016/0368-2048(73)80048-9

[2] MOLECULAR PHOTOELECTRON SPECTROSCOPY .7. VERTICAL IONISATION POTENTIALS OF BENZENE AND SOME OF ITS MONOSUBSTITUTED AND 1,4-DISUBSTITUTED DERIVATIVES [J].

BAKER, AD ;

MAY, DP ;

TURNER, DW .

JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1968, (01) :22-&

[3] ELECTRONIC ENERGIES AND ELECTRONIC STRUCTURES OF FLUOROMETHANES [J].

BRUNDLE, CR ;

ROBIN, MB ;

BASCH, H .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (06) :2196-&

[4]

CARLSON TA, 1976, PHOTOELECTRON AUGER, P337

[5] SMALL GAUSSIAN BASIS SETS FOR SECOND-ROW ATOMS [J].

CLAXTON, TA ;

SMITH, NA .

THEORETICA CHIMICA ACTA, 1971, 22 (04) :378-&

[6]

CVITAS T, 1977, CROAT CHEM ACTA, V50, P291

[7] PHOTOELECTRON-SPECTRA OF CHLOROFLUOROMETHANES [J].

CVITAS, T ;

GUSTEN, H ;

KLASINC, L .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (06) :2687-2691

[8]

CVITAS T, 1977, J CHEM SOC PERK T 2, P962, DOI 10.1039/p29770000962

[9] HARTREE-FOCK SCF CALCULATION OF ACTIVATION ENERGIES FOR 2 SN2 REACTIONS [J].

DUKE, AJ ;

BADER, RFW .

CHEMICAL PHYSICS LETTERS, 1971, 10 (05) :631-&

[10]

GOUTIER D, 1974, QCPE, V10, P241

← 1 2 3 4 →