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LOW-LYING PI-ELECTRON STATES OF TRANS-BUTADIENE
被引:81
作者
:
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
DUNNING, TH
HOSTENY, RP
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HOSTENY, RP
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
SHAVITT, I
机构
:
[1]
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
[2]
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
[3]
BATTELLE MEM INST,COLUMBUS,OH 43201
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1973年
/ 95卷
/ 15期
关键词
:
D O I
:
10.1021/ja00796a059
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:5067 / 5068
页数:2
相关论文
共 24 条
[1]
OPEN-SHELL MULTI-CONFIGURATION SELF-CONSISTENT-FIELD RESULTS FOR LOWEST ENERGY 1(PI, PI) STATE OF PLANAR ETHYLENE
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
BAR ILAN UNIV,DEPT CHEM,RAMAT GAN,ISRAEL
BAR ILAN UNIV,DEPT CHEM,RAMAT GAN,ISRAEL
BASCH, H
.
CHEMICAL PHYSICS LETTERS,
1973,
19
(03)
:323
-327
[2]
INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
;
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
MCKOY, V
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(05)
:1628
-&
[3]
MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
;
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
;
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
HUNT, WJ
.
CHEMICAL PHYSICS LETTERS,
1972,
15
(02)
:171
-&
[4]
PI-ELECTRON STRUCTURE OF BUTADIENE
[J].
BERRY, RS
论文数:
0
引用数:
0
h-index:
0
BERRY, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1957,
26
(06)
:1660
-1664
[5]
BRONGERSMA HH, 1967, FAST REACTIONS PRIMA
[6]
COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
;
KAMMER, WE
论文数:
0
引用数:
0
h-index:
0
KAMMER, WE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:814
-+
[7]
NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
;
HSU, HL
论文数:
0
引用数:
0
h-index:
0
HSU, HL
.
CHEMISTRY AND PHYSICS OF LIPIDS,
1971,
11
(01)
:65
-+
[8]
DIRECT OBSERVATION OF A DOUBLY EXCITED-STATE OF PLEIADENE
[J].
DOWNING, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
DOWNING, J
;
DVORAK, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
DVORAK, V
;
KOLC, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
KOLC, J
;
MANZARA, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MANZARA, A
;
MICHL, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MICHL, J
.
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
:70
-73
[9]
The theoretical description of the (pi pi*) excited states of ethylene
[J].
Dunning, T. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunning, T. H., Jr.
;
Huntt, W. J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Huntt, W. J.
;
Goddard, W. A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, W. A., III
.
CHEMICAL PHYSICS LETTERS,
1969,
4
(03)
:147
-150
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
←
1
2
3
→
共 24 条
[1]
OPEN-SHELL MULTI-CONFIGURATION SELF-CONSISTENT-FIELD RESULTS FOR LOWEST ENERGY 1(PI, PI) STATE OF PLANAR ETHYLENE
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
BAR ILAN UNIV,DEPT CHEM,RAMAT GAN,ISRAEL
BAR ILAN UNIV,DEPT CHEM,RAMAT GAN,ISRAEL
BASCH, H
.
CHEMICAL PHYSICS LETTERS,
1973,
19
(03)
:323
-327
[2]
INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
;
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
MCKOY, V
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(05)
:1628
-&
[3]
MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
;
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
;
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
HUNT, WJ
.
CHEMICAL PHYSICS LETTERS,
1972,
15
(02)
:171
-&
[4]
PI-ELECTRON STRUCTURE OF BUTADIENE
[J].
BERRY, RS
论文数:
0
引用数:
0
h-index:
0
BERRY, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1957,
26
(06)
:1660
-1664
[5]
BRONGERSMA HH, 1967, FAST REACTIONS PRIMA
[6]
COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
;
KAMMER, WE
论文数:
0
引用数:
0
h-index:
0
KAMMER, WE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:814
-+
[7]
NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
;
HSU, HL
论文数:
0
引用数:
0
h-index:
0
HSU, HL
.
CHEMISTRY AND PHYSICS OF LIPIDS,
1971,
11
(01)
:65
-+
[8]
DIRECT OBSERVATION OF A DOUBLY EXCITED-STATE OF PLEIADENE
[J].
DOWNING, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
DOWNING, J
;
DVORAK, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
DVORAK, V
;
KOLC, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
KOLC, J
;
MANZARA, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MANZARA, A
;
MICHL, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MICHL, J
.
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
:70
-73
[9]
The theoretical description of the (pi pi*) excited states of ethylene
[J].
Dunning, T. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunning, T. H., Jr.
;
Huntt, W. J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Huntt, W. J.
;
Goddard, W. A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, W. A., III
.
CHEMICAL PHYSICS LETTERS,
1969,
4
(03)
:147
-150
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
←
1
2
3
→