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BASIS SET DEPENDENCE OF SPATIAL ELECTRON-DISTRIBUTION - IMPLICATIONS FOR CALCULATED CONFORMATIONAL EQUILIBRIA
被引:7
作者
:
HAGLER, AT
论文数:
0
引用数:
0
h-index:
0
HAGLER, AT
LAPICCIRELLA, A
论文数:
0
引用数:
0
h-index:
0
LAPICCIRELLA, A
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1978年
/ 100卷
/ 13期
关键词
:
D O I
:
10.1021/ja00481a007
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:4026 / 4029
页数:4
相关论文
共 13 条
[1]
Anfinsen C B, 1975, Adv Protein Chem, V29, P205, DOI 10.1016/S0065-3233(08)60413-1
[2]
Duke B. J., 1975, THEOR CHEM, V2, P159
[3]
EXPERIMENTAL AND THEORETICAL STUDIES OF BARRIER TO ROTATION ABOUT N-C-ALPHA AND C-ALPHA-C' BONDS (PHI AND PSI) IN AMIDES AND PEPTIDES
HAGLER, AT
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
HAGLER, AT
LEISEROWITZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
LEISEROWITZ, L
TUVAL, M
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
TUVAL, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(15)
: 4600
-
4612
[4]
SPATIAL ELECTRON-DISTRIBUTION AND POPULATION ANALYSIS OF AMIDES, CARBOXYLIC-ACID, AND PEPTIDES, AND THEIR RELATION TO EMPIRICAL POTENTIAL FUNCTIONS
HAGLER, AT
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
HAGLER, AT
LAPICCIRELLA, A
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
LAPICCIRELLA, A
[J].
BIOPOLYMERS,
1976,
15
(06)
: 1167
-
1200
[5]
HAGLER AT, PROTEINS
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
[7]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .26. GEOMETRIES, ENERGIES, AND POLARITIES OF C4 HYDROCARBONS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,PITTSBURGH,PA 15213
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(24)
: 6941
-
6955
[8]
VINYLCYCLOPROPANE AND VINYLCYCLOBUTANE
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
: 6592
-
&
[9]
LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175
[10]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .4. HARTREE-FOCK POTENTIAL FOR WATER DIMER AND ITS APPLICATION TO LIQUID STATE
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
POPKIE, H
KISTENMA.H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
KISTENMA.H
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(03)
: 1325
-
1336
←
1
2
→
共 13 条
[1]
Anfinsen C B, 1975, Adv Protein Chem, V29, P205, DOI 10.1016/S0065-3233(08)60413-1
[2]
Duke B. J., 1975, THEOR CHEM, V2, P159
[3]
EXPERIMENTAL AND THEORETICAL STUDIES OF BARRIER TO ROTATION ABOUT N-C-ALPHA AND C-ALPHA-C' BONDS (PHI AND PSI) IN AMIDES AND PEPTIDES
HAGLER, AT
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
HAGLER, AT
LEISEROWITZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
LEISEROWITZ, L
TUVAL, M
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
TUVAL, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(15)
: 4600
-
4612
[4]
SPATIAL ELECTRON-DISTRIBUTION AND POPULATION ANALYSIS OF AMIDES, CARBOXYLIC-ACID, AND PEPTIDES, AND THEIR RELATION TO EMPIRICAL POTENTIAL FUNCTIONS
HAGLER, AT
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
HAGLER, AT
LAPICCIRELLA, A
论文数:
0
引用数:
0
h-index:
0
机构:
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOTH,ISRAEL
LAPICCIRELLA, A
[J].
BIOPOLYMERS,
1976,
15
(06)
: 1167
-
1200
[5]
HAGLER AT, PROTEINS
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
[7]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .26. GEOMETRIES, ENERGIES, AND POLARITIES OF C4 HYDROCARBONS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,PITTSBURGH,PA 15213
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(24)
: 6941
-
6955
[8]
VINYLCYCLOPROPANE AND VINYLCYCLOBUTANE
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
: 6592
-
&
[9]
LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175
[10]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .4. HARTREE-FOCK POTENTIAL FOR WATER DIMER AND ITS APPLICATION TO LIQUID STATE
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
POPKIE, H
KISTENMA.H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
KISTENMA.H
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(03)
: 1325
-
1336
←
1
2
→