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SCALING ALL CORRELATION-ENERGY IN PERTURBATION-THEORY CALCULATIONS OF BOND-ENERGIES AND BARRIER HEIGHTS
被引:200
作者
:
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
GORDON, MS
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
TRUHLAR, DG
机构
:
[1]
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
[2]
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1986年
/ 108卷
/ 18期
关键词
:
D O I
:
10.1021/ja00278a007
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:5412 / 5419
页数:8
相关论文
共 66 条
[1]
[Anonymous], 1978, J CHEM THERMODYN, V10, P903
[2]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[3]
COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
BARTLETT, RJ
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
SHAVITT, I
[J].
CHEMICAL PHYSICS LETTERS,
1977,
50
(02)
: 190
-
198
[4]
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
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[6]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[7]
BINKLEY JS, 1983, UNPUB GAUSSIAN 82
[8]
PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
BOTSCHWINA, P
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
MEYER, W
[J].
CHEMICAL PHYSICS,
1977,
20
(01)
: 43
-
52
[9]
A NEW SEMI-EMPIRICAL METHOD OF CORRECTING LARGE-SCALE CONFIGURATION-INTERACTION CALCULATIONS FOR INCOMPLETE DYNAMIC CORRELATION OF ELECTRONS
BROWN, FB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
BROWN, FB
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
TRUHLAR, DG
[J].
CHEMICAL PHYSICS LETTERS,
1985,
117
(04)
: 307
-
313
[10]
THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BRUNA, PJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BUENKER, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1980,
72
(02)
: 278
-
284
←
1
2
3
4
5
6
7
→
共 66 条
[1]
[Anonymous], 1978, J CHEM THERMODYN, V10, P903
[2]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[3]
COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
BARTLETT, RJ
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
SHAVITT, I
[J].
CHEMICAL PHYSICS LETTERS,
1977,
50
(02)
: 190
-
198
[4]
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
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[6]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[7]
BINKLEY JS, 1983, UNPUB GAUSSIAN 82
[8]
PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
BOTSCHWINA, P
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
MEYER, W
[J].
CHEMICAL PHYSICS,
1977,
20
(01)
: 43
-
52
[9]
A NEW SEMI-EMPIRICAL METHOD OF CORRECTING LARGE-SCALE CONFIGURATION-INTERACTION CALCULATIONS FOR INCOMPLETE DYNAMIC CORRELATION OF ELECTRONS
BROWN, FB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
BROWN, FB
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
TRUHLAR, DG
[J].
CHEMICAL PHYSICS LETTERS,
1985,
117
(04)
: 307
-
313
[10]
THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BRUNA, PJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BUENKER, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1980,
72
(02)
: 278
-
284
←
1
2
3
4
5
6
7
→