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SEMIEMPIRICAL CALCULATIONS OF INTERNAL BARRIERS TO ROTATION AND RING PUCKERING .2. MINDO-3 STUDY
被引:25
作者
:
COMBS, LL
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV,DEPT CHEM,MISSISSIPPI STATE,MS 39762
COMBS, LL
ROSSIE, M
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV,DEPT CHEM,MISSISSIPPI STATE,MS 39762
ROSSIE, M
机构
:
[1]
MISSISSIPPI STATE UNIV,DEPT CHEM,MISSISSIPPI STATE,MS 39762
[2]
MISSISSIPPI STATE UNIV,DEPT PHYS,MISSISSIPPI STATE,MS 39762
来源
:
JOURNAL OF MOLECULAR STRUCTURE
|
1976年
/ 32卷
/ 01期
关键词
:
D O I
:
10.1016/0022-2860(76)80040-3
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:1 / 7
页数:7
相关论文
共 15 条
[1]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[2]
GROUND-STATES OF SIGMA-BONDED MOLECULES .18. IMPROVED VERSION OF MINDO/2 AND ITS APPLICATION TO CARBONIUM-IONS AND PROTONATED CYCLOPROPANES
[J].
BODOR, N
论文数:
0
引用数:
0
h-index:
0
BODOR, N
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
LO, DH
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(15)
:5303
-&
[3]
CHEUNG CS, 1971, TETRAHEDRON, V27, P698
[4]
SEMIEMPIRICAL CALCULATIONS OF INTERNAL BARRIERS TO ROTATION AND RING PUCKERING .1. PRESENT TECHNIQUES
[J].
COMBS, LL
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT CHEM, MISSISSIPPI STATE, MS 39762 USA
COMBS, LL
;
HOLLOMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT CHEM, MISSISSIPPI STATE, MS 39762 USA
HOLLOMAN, M
.
JOURNAL OF PHYSICAL CHEMISTRY,
1975,
79
(05)
:512
-521
[5]
COMBS LL, TO BE PUBLISHED
[6]
VARIANCE ALGORITHM FOR MINIMIZATION
[J].
DAVIDON, WC
论文数:
0
引用数:
0
h-index:
0
DAVIDON, WC
.
COMPUTER JOURNAL,
1968,
10
(04)
:406
-&
[7]
VIBRATIONAL SPECTRA AND STRUCTURE OF SMALL RING COMPOUNDS .18. 3-OXETANONE
[J].
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
DURIG, JR
;
MORRISSE.AC
论文数:
0
引用数:
0
h-index:
0
MORRISSE.AC
;
HARRIS, WC
论文数:
0
引用数:
0
h-index:
0
HARRIS, WC
.
JOURNAL OF MOLECULAR STRUCTURE,
1970,
6
(05)
:375
-&
[8]
FUNCTION MINIMIZATION WITHOUT EVALUATING DERIVATIVES - A REVIEW
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
.
COMPUTER JOURNAL,
1965,
8
(01)
:33
-41
[9]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
;
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
.
COMPUTER JOURNAL,
1963,
6
(02)
:163
-&
[10]
MICROWAVE SPECTRUM AND RING-PUCKERING VIBRATION IN 1,1-DIFLUOROCYCLOBUTANE
[J].
LUNTZ, AC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
LUNTZ, AC
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
:1109
-&
←
1
2
→
共 15 条
[1]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[2]
GROUND-STATES OF SIGMA-BONDED MOLECULES .18. IMPROVED VERSION OF MINDO/2 AND ITS APPLICATION TO CARBONIUM-IONS AND PROTONATED CYCLOPROPANES
[J].
BODOR, N
论文数:
0
引用数:
0
h-index:
0
BODOR, N
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
LO, DH
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(15)
:5303
-&
[3]
CHEUNG CS, 1971, TETRAHEDRON, V27, P698
[4]
SEMIEMPIRICAL CALCULATIONS OF INTERNAL BARRIERS TO ROTATION AND RING PUCKERING .1. PRESENT TECHNIQUES
[J].
COMBS, LL
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT CHEM, MISSISSIPPI STATE, MS 39762 USA
COMBS, LL
;
HOLLOMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT CHEM, MISSISSIPPI STATE, MS 39762 USA
HOLLOMAN, M
.
JOURNAL OF PHYSICAL CHEMISTRY,
1975,
79
(05)
:512
-521
[5]
COMBS LL, TO BE PUBLISHED
[6]
VARIANCE ALGORITHM FOR MINIMIZATION
[J].
DAVIDON, WC
论文数:
0
引用数:
0
h-index:
0
DAVIDON, WC
.
COMPUTER JOURNAL,
1968,
10
(04)
:406
-&
[7]
VIBRATIONAL SPECTRA AND STRUCTURE OF SMALL RING COMPOUNDS .18. 3-OXETANONE
[J].
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
DURIG, JR
;
MORRISSE.AC
论文数:
0
引用数:
0
h-index:
0
MORRISSE.AC
;
HARRIS, WC
论文数:
0
引用数:
0
h-index:
0
HARRIS, WC
.
JOURNAL OF MOLECULAR STRUCTURE,
1970,
6
(05)
:375
-&
[8]
FUNCTION MINIMIZATION WITHOUT EVALUATING DERIVATIVES - A REVIEW
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
.
COMPUTER JOURNAL,
1965,
8
(01)
:33
-41
[9]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
;
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
.
COMPUTER JOURNAL,
1963,
6
(02)
:163
-&
[10]
MICROWAVE SPECTRUM AND RING-PUCKERING VIBRATION IN 1,1-DIFLUOROCYCLOBUTANE
[J].
LUNTZ, AC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
LUNTZ, AC
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
:1109
-&
←
1
2
→