MNDO STUDY OF STRUCTURES, VIBRATIONAL FREQUENCIES, AND IONIZATION ENERGIES OF 1ST 5 POLY-YNES

被引：14

作者：

DEWAR, MJS ^{[1
]}

FORD, GP ^{[1
]}

RZEPA, HS ^{[1
]}

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 50卷 / 02期

关键词：

D O I：

10.1016/0009-2614(77)80177-2

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：262 / 265

页数：4

共 17 条

[1] Allan M., 1976, Chemical Physics Letters, V41, P228, DOI 10.1016/0009-2614(76)80798-1
[2] EMISSION-SPECTRA OF RADICAL CATIONS OF DIACETYLENE (A2PIV-]X2PIG),TRIACETYLENE (A2PIG-]X2PIV), AND TETRAACETYLENE (A2PIV-]X2PIG,000), AND LIFETIMES OF SOME VIBRONIC LEVELS OF A STATES
ALLAN, M
KLOSTERJENSEN, E
MAIER, JP
[J]. CHEMICAL PHYSICS, 1976, 17 (01) : 11 - 18
[3] BAKER C, 1967, J CHEM SOC CHEM COMM, P797
[4] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
BINGHAM, RC
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1294 - 1301
[5] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293
[6] PHOTOELECTRON SPECTRA OF METHYL-SUBSTITUTED ACETYLENES
BROGLI, F
HEILBRON.E
HORNUNG, V
KLOSTERJ.E
[J]. HELVETICA CHIMICA ACTA, 1973, 56 (07) : 2171 - 2178
[7] AN EMISSION SPECTRUM OF THE DIACETYLENE ION - A STUDY OF SCHULER T-SPECTRUM UNDER HIGH RESOLUTION
CALLOMON, JH
[J]. CANADIAN JOURNAL OF PHYSICS, 1956, 34 (10) : 1046 - 1074
[8] HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES .8. ROTATIONAL SPECTRA OF ACETYLENE, DIACETYLENE, DIACETYLENE-D2, AND DIMETHYLACETYLENE
CALLOMON, JH
STOICHEFF, BP
[J]. CANADIAN JOURNAL OF PHYSICS, 1957, 35 (04) : 373 - &
[9] GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES
DEWAR, MJS
FORD, GP
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) : 1685 - 1691
[10] GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS
DEWAR, MJS
HASHMALL, JA
VENIER, CG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) : 1953 - &

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