MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .9. STUDY OF -]PI] TRANSITION ENERGIES IN SMALL MOLECULES

被引：110

作者：

DITCHFIELD, R

DELBENE, JE

POPLE, JA

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1972年 / 94卷 / 03期

关键词：

D O I：

10.1021/ja00758a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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页码：703 / +

页数：1

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共 17 条

[1] ELECTRONIC SPECTRA OF ISOELECTRONIC AMIDES ACIDS AND ACYL FLUORIDES
BASCH, H
ROBIN, MB
KUEBLER, NA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) : 5007 - &
[2] ELECTRONIC STATES OF AMIDE GROUP
BASCH, H
ROBIN, MB
KUEBLER, NA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) : 1201 - &
[3] DELBENE JE, 1971, J CHEM PHYS, V55, P2236, DOI 10.1063/1.1676398
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[5] JONES EW, 1965, P ROY SOC A, V228, P50
[6] CHARACTERIZATION OF ELECTRONIC TRANSITIONS IN COMPLEX MOLECULES
KASHA, M
[J]. DISCUSSIONS OF THE FARADAY SOCIETY, 1950, (09): : 14 - 19
[7] OPTICAL SPECTRA OF SMALL RINGS .U. N-]PI] TRANSITION OF DIFLUORODIAZINE
LOMBARDI, JR
KLEMPERER, W
ROBIN, MB
BASCH, H
KUEBLER, NA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01) : 33 - +
[8] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840
[9] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS
POPLE, JA
GORDON, M
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) : 4253 - &
[10] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .8. GEOMETRIES, ENERGIES, AND POLARITIES OF C3 HYDROCARBONS
RADOM, L
LATHAN, WA
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (21) : 5339 - &