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THE PHOTODISSOCIATION OF FORMALDEHYDE - A COUPLED CLUSTER STUDY INCLUDING CONNECTED TRIPLE EXCITATIONS OF THE TRANSITION-STATE BARRIER HEIGHT FOR H2CO-]H2+CO
被引:115
作者
:
SCUSERIA, GE
论文数:
0
引用数:
0
h-index:
0
SCUSERIA, GE
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1989年
/ 90卷
/ 07期
关键词
:
D O I
:
10.1063/1.455821
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
收藏
页码:3629 / 3636
页数:8
相关论文
共 39 条
[1]
[Anonymous], 1986, JANAF THERMOCHEMICAL
[2]
PHOTOFRAGMENTATION DYNAMICS OF FORMALDEHYDE - CO(V,J) DISTRIBUTIONS AS A FUNCTION OF INITIAL ROVIBRONIC STATE AND ISOTOPIC-SUBSTITUTION
BAMFORD, DJ
论文数:
0
引用数:
0
h-index:
0
BAMFORD, DJ
FILSETH, SV
论文数:
0
引用数:
0
h-index:
0
FILSETH, SV
FOLTZ, MF
论文数:
0
引用数:
0
h-index:
0
FOLTZ, MF
HEPBURN, JW
论文数:
0
引用数:
0
h-index:
0
HEPBURN, JW
MOORE, CB
论文数:
0
引用数:
0
h-index:
0
MOORE, CB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(07)
: 3032
-
3041
[3]
EVALUATED KINETIC AND PHOTOCHEMICAL DATA FOR ATMOSPHERIC CHEMISTRY .1. CODATA TASK GROUP ON CHEMICAL-KINETICS
BAULCH, DL
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
BAULCH, DL
COX, RA
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
COX, RA
CRUTZEN, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
CRUTZEN, PJ
HAMPSON, RF
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
HAMPSON, RF
KERR, JA
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
KERR, JA
TROE, J
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
TROE, J
WATSON, RT
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
WATSON, RT
[J].
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA,
1982,
11
(02)
: 327
-
496
[4]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
: 4652
-
4653
[5]
T1 BARRIER HEIGHT, S1-T1 INTERSYSTEM CROSSING RATE, AND S0 RADICAL DISSOCIATION THRESHOLD FOR H2CO, D2CO, AND HDCO
CHUANG, MC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
CHUANG, MC
FOLTZ, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
FOLTZ, MF
MOORE, CB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
MOORE, CB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(07)
: 3855
-
3864
[6]
PHOTOFRAGMENTATION DYNAMICS OF FORMALDEHYDE - H2(V,J) DISTRIBUTIONS
DEBARRE, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
DEBARRE, D
LEFEBVRE, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
LEFEBVRE, M
PEALAT, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
PEALAT, M
TARAN, JPE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
TARAN, JPE
BAMFORD, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
BAMFORD, DJ
MOORE, CB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
MOORE, CB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(09)
: 4476
-
4487
[7]
DEVELOPMENT AND STATUS OF MINDO/3 AND MNDO
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1983,
100
(JUL)
: 41
-
50
[8]
Dunning T.H., 1977, MODERN THEORETICAL C, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[9]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
←
1
2
3
4
→
共 39 条
[1]
[Anonymous], 1986, JANAF THERMOCHEMICAL
[2]
PHOTOFRAGMENTATION DYNAMICS OF FORMALDEHYDE - CO(V,J) DISTRIBUTIONS AS A FUNCTION OF INITIAL ROVIBRONIC STATE AND ISOTOPIC-SUBSTITUTION
BAMFORD, DJ
论文数:
0
引用数:
0
h-index:
0
BAMFORD, DJ
FILSETH, SV
论文数:
0
引用数:
0
h-index:
0
FILSETH, SV
FOLTZ, MF
论文数:
0
引用数:
0
h-index:
0
FOLTZ, MF
HEPBURN, JW
论文数:
0
引用数:
0
h-index:
0
HEPBURN, JW
MOORE, CB
论文数:
0
引用数:
0
h-index:
0
MOORE, CB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(07)
: 3032
-
3041
[3]
EVALUATED KINETIC AND PHOTOCHEMICAL DATA FOR ATMOSPHERIC CHEMISTRY .1. CODATA TASK GROUP ON CHEMICAL-KINETICS
BAULCH, DL
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
BAULCH, DL
COX, RA
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
COX, RA
CRUTZEN, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
CRUTZEN, PJ
HAMPSON, RF
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
HAMPSON, RF
KERR, JA
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
KERR, JA
TROE, J
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
TROE, J
WATSON, RT
论文数:
0
引用数:
0
h-index:
0
机构:
AERE, HARWELL OX11 0RA, OXON, ENGLAND
WATSON, RT
[J].
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA,
1982,
11
(02)
: 327
-
496
[4]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
: 4652
-
4653
[5]
T1 BARRIER HEIGHT, S1-T1 INTERSYSTEM CROSSING RATE, AND S0 RADICAL DISSOCIATION THRESHOLD FOR H2CO, D2CO, AND HDCO
CHUANG, MC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
CHUANG, MC
FOLTZ, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
FOLTZ, MF
MOORE, CB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
MOORE, CB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(07)
: 3855
-
3864
[6]
PHOTOFRAGMENTATION DYNAMICS OF FORMALDEHYDE - H2(V,J) DISTRIBUTIONS
DEBARRE, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
DEBARRE, D
LEFEBVRE, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
LEFEBVRE, M
PEALAT, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
PEALAT, M
TARAN, JPE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
TARAN, JPE
BAMFORD, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
BAMFORD, DJ
MOORE, CB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
MOORE, CB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(09)
: 4476
-
4487
[7]
DEVELOPMENT AND STATUS OF MINDO/3 AND MNDO
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1983,
100
(JUL)
: 41
-
50
[8]
Dunning T.H., 1977, MODERN THEORETICAL C, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[9]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
←
1
2
3
4
→