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THE MNDOC METHOD, A CORRELATED VERSION OF THE MNDO MODEL
被引:222
作者
:
THIEL, W
论文数:
0
引用数:
0
h-index:
0
THIEL, W
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1981年
/ 103卷
/ 06期
关键词
:
D O I
:
10.1021/ja00396a021
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1413 / 1420
页数:8
相关论文
共 41 条
[1]
MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .1. CLOSED-SHELL FIRST-ROW DIATOMIC HYDRIDES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
BARTLETT, RJ
SILVER, DM
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
SILVER, DM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(08)
: 3258
-
3268
[2]
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
[3]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[4]
Davidson E.R., 1974, WORLD QUANTUM CHEM
[5]
ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
DAVIDSON, ER
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
17
(01)
: 87
-
94
[6]
SIZE CONSISTENCY IN DILUTE HELIUM GAS ELECTRONIC-STRUCTURE
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
SILVER, DW
论文数:
0
引用数:
0
h-index:
0
SILVER, DW
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(03)
: 403
-
406
[7]
DAVIDSON ER, 1973, ENERGY STRUCTURE REA
[8]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[9]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4907
-
4917
[10]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
←
1
2
3
4
5
→
共 41 条
[1]
MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .1. CLOSED-SHELL FIRST-ROW DIATOMIC HYDRIDES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
BARTLETT, RJ
SILVER, DM
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
SILVER, DM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(08)
: 3258
-
3268
[2]
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
[3]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[4]
Davidson E.R., 1974, WORLD QUANTUM CHEM
[5]
ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
DAVIDSON, ER
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
17
(01)
: 87
-
94
[6]
SIZE CONSISTENCY IN DILUTE HELIUM GAS ELECTRONIC-STRUCTURE
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
SILVER, DW
论文数:
0
引用数:
0
h-index:
0
SILVER, DW
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(03)
: 403
-
406
[7]
DAVIDSON ER, 1973, ENERGY STRUCTURE REA
[8]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[9]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4907
-
4917
[10]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
←
1
2
3
4
5
→