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COMPREHENSIVE THEORETICAL-STUDY OF ISOMERS AND REARRANGEMENT BARRIERS OF EVEN-ELECTRON POLYATOMIC-MOLECULES HMABHN (A, B = C, N, O, AND F)
被引:306
作者
:
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
POPLE, JA
[
1
]
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
RAGHAVACHARI, K
[
1
]
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
FRISCH, MJ
[
1
]
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
BINKLEY, JS
[
1
]
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
SCHLEYER, PV
[
1
]
机构
:
[1]
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1983年
/ 105卷
/ 21期
关键词
:
D O I
:
10.1021/ja00359a005
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:6389 / 6398
页数:10
相关论文
共 41 条
[1]
ADAMS GF, 1981, POTENTIAL SURFACES D
[2]
ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
BAUSCHLICHER, CW
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
SHAVITT, I
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(03)
: 739
-
743
[3]
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[4]
COMPARATIVE QUANTUM CHEMICAL INVESTIGATION OF BONDING IN 1ST AND 2ND ROW YLIDES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
BERNARDI, F
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
SCHLEGEL, HB
WHANGBO, MH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
WHANGBO, MH
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
: 5633
-
5636
[5]
AB-INITIO CALCULATION OF FORCE-FIELD AND VIBRATIONAL FREQUENCIES OF H2CNH
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,LEHRSTUHL PHYS CHEM 3,MAINZ,FED REP GER
UNIV MAINZ,LEHRSTUHL PHYS CHEM 3,MAINZ,FED REP GER
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS LETTERS,
1974,
29
(04)
: 580
-
584
[6]
BROWN RF, 1980, PYROLYTIC METHODS OR, P125
[7]
ELECTRONIC-STRUCTURE OF NOH (HYPONITROUS ACID MONOMER) IN THE GROUND-STATE
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
BRUNA, PJ
MARIAN, CM
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
MARIAN, CM
[J].
CHEMICAL PHYSICS LETTERS,
1979,
67
(01)
: 109
-
114
[8]
THERMOCHEMISTRY OF TRANS-DIIMIDE AND 1,1-DIAZENE - ABINITIO STUDIES
CASEWIT, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CASEWIT, CJ
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
GODDARD, WA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(12)
: 4057
-
4062
[9]
ELECTRONIC STATES OF AMINONITRENE (1,1-DIAZINE) - STUDY OF ENDWISE BONDING OF DINITROGEN
DAVIS, JH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
DAVIS, JH
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GODDARD, WA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(22)
: 7111
-
7120
[10]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
←
1
2
3
4
5
→
共 41 条
[1]
ADAMS GF, 1981, POTENTIAL SURFACES D
[2]
ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
BAUSCHLICHER, CW
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
SHAVITT, I
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(03)
: 739
-
743
[3]
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[4]
COMPARATIVE QUANTUM CHEMICAL INVESTIGATION OF BONDING IN 1ST AND 2ND ROW YLIDES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
BERNARDI, F
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
SCHLEGEL, HB
WHANGBO, MH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
WHANGBO, MH
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
: 5633
-
5636
[5]
AB-INITIO CALCULATION OF FORCE-FIELD AND VIBRATIONAL FREQUENCIES OF H2CNH
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,LEHRSTUHL PHYS CHEM 3,MAINZ,FED REP GER
UNIV MAINZ,LEHRSTUHL PHYS CHEM 3,MAINZ,FED REP GER
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS LETTERS,
1974,
29
(04)
: 580
-
584
[6]
BROWN RF, 1980, PYROLYTIC METHODS OR, P125
[7]
ELECTRONIC-STRUCTURE OF NOH (HYPONITROUS ACID MONOMER) IN THE GROUND-STATE
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
BRUNA, PJ
MARIAN, CM
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
MARIAN, CM
[J].
CHEMICAL PHYSICS LETTERS,
1979,
67
(01)
: 109
-
114
[8]
THERMOCHEMISTRY OF TRANS-DIIMIDE AND 1,1-DIAZENE - ABINITIO STUDIES
CASEWIT, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CASEWIT, CJ
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
GODDARD, WA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(12)
: 4057
-
4062
[9]
ELECTRONIC STATES OF AMINONITRENE (1,1-DIAZINE) - STUDY OF ENDWISE BONDING OF DINITROGEN
DAVIS, JH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
DAVIS, JH
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GODDARD, WA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(22)
: 7111
-
7120
[10]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
←
1
2
3
4
5
→