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COOPERATIVE EFFECTS IN EXTENDED HYDROGEN-BONDED SYSTEMS INVOLVING O-H GROUPS - ABINITIO STUDIES OF THE CYCLIC S-4 WATER TETRAMER
被引:77
作者
:
KOEHLER, JEH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
KOEHLER, JEH
[
1
]
SAENGER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
SAENGER, W
[
1
]
LESYNG, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
LESYNG, B
[
1
]
机构
:
[1]
UNIV WARSAW, DEPT BIOPHYS, PL-02089 WARSAW, POLAND
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1987年
/ 8卷
/ 08期
关键词
:
D O I
:
10.1002/jcc.540080804
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1090 / 1098
页数:9
相关论文
共 44 条
[1]
COOPERATIVE EFFECTS IN SIMULATED WATER
[J].
BARNES, P
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
BARNES, P
;
FINNEY, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
FINNEY, JL
;
NICHOLAS, JD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
NICHOLAS, JD
;
QUINN, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
QUINN, JE
.
NATURE,
1979,
282
(5738)
:459
-464
[2]
TOPOGRAPHY OF CYCLODEXTRIN INCLUSION COMPLEXES .20. CIRCULAR AND FLIP-FLOP HYDROGEN-BONDING IN BETA-CYCLODEXTRIN UNDECAHYDRATE - A NEUTRON-DIFFRACTION STUDY
[J].
BETZEL, C
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
BETZEL, C
;
SAENGER, W
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
SAENGER, W
;
HINGERTY, BE
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
HINGERTY, BE
;
BROWN, GM
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
BROWN, GM
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(24)
:7545
-7557
[3]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
[J].
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
:939
-947
[4]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
;
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
.
MOLECULAR PHYSICS,
1970,
19
(04)
:553
-&
[5]
TOPOGRAPHY OF CYCLODEXTRIN INCLUSION COMPLEXES .15. CRYSTAL AND MOLECULAR-STRUCTURE OF THE CYCLOHEXAAMYLOSE-7.57 WATER COMPLEX, FORM-III - 4-MEMBERED AND 6-MEMBERED CIRCULAR HYDROGEN-BONDS
[J].
CHACKO, KK
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
CHACKO, KK
;
SAENGER, W
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
SAENGER, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(07)
:1708
-1715
[6]
CICCOTTI G, 1986, P INT SCH PHYSICS
[7]
NONADDITIVITY OF INTERACTION IN WATER TRIMERS
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
KOLOS, W
论文数:
0
引用数:
0
h-index:
0
KOLOS, W
;
LIE, GC
论文数:
0
引用数:
0
h-index:
0
LIE, GC
;
RANGHINO, G
论文数:
0
引用数:
0
h-index:
0
RANGHINO, G
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1980,
17
(03)
:377
-398
[8]
STUDIES OF MOLECULAR ASSOCIATION IN H2O AND D2O VAPORS BY MEASUREMENT OF THERMAL-CONDUCTIVITY
[J].
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
Chemical Engineering Division, Argonne National Laboratory, Argonne
CURTISS, LA
;
FRURIP, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
Chemical Engineering Division, Argonne National Laboratory, Argonne
FRURIP, DJ
;
BLANDER, M
论文数:
0
引用数:
0
h-index:
0
机构:
Chemical Engineering Division, Argonne National Laboratory, Argonne
BLANDER, M
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(06)
:2703
-2711
[9]
THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS
[J].
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(09)
:4858
-+
[10]
THEORY OF MOLECULAR-INTERACTIONS .3. COMPARISON OF STUDIES OF H2O POLYMERS USING DIFFERENT MOLECULAR-ORBITAL BASIS SETS
[J].
DELBENE, JE
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
DELBENE, JE
;
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
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(09)
:3605
-3608
←
1
2
3
4
5
→
共 44 条
[1]
COOPERATIVE EFFECTS IN SIMULATED WATER
[J].
BARNES, P
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
BARNES, P
;
FINNEY, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
FINNEY, JL
;
NICHOLAS, JD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
NICHOLAS, JD
;
QUINN, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street
QUINN, JE
.
NATURE,
1979,
282
(5738)
:459
-464
[2]
TOPOGRAPHY OF CYCLODEXTRIN INCLUSION COMPLEXES .20. CIRCULAR AND FLIP-FLOP HYDROGEN-BONDING IN BETA-CYCLODEXTRIN UNDECAHYDRATE - A NEUTRON-DIFFRACTION STUDY
[J].
BETZEL, C
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
BETZEL, C
;
SAENGER, W
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
SAENGER, W
;
HINGERTY, BE
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
HINGERTY, BE
;
BROWN, GM
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST KRISTALLOG, D-1000 BERLIN 33, FED REP GER
BROWN, GM
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(24)
:7545
-7557
[3]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
[J].
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
:939
-947
[4]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
;
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
.
MOLECULAR PHYSICS,
1970,
19
(04)
:553
-&
[5]
TOPOGRAPHY OF CYCLODEXTRIN INCLUSION COMPLEXES .15. CRYSTAL AND MOLECULAR-STRUCTURE OF THE CYCLOHEXAAMYLOSE-7.57 WATER COMPLEX, FORM-III - 4-MEMBERED AND 6-MEMBERED CIRCULAR HYDROGEN-BONDS
[J].
CHACKO, KK
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
CHACKO, KK
;
SAENGER, W
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
MAX PLANCK INST EXPTL MED,CHEM ABT,D-3400 GOTTINGEN,FED REP GER
SAENGER, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(07)
:1708
-1715
[6]
CICCOTTI G, 1986, P INT SCH PHYSICS
[7]
NONADDITIVITY OF INTERACTION IN WATER TRIMERS
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
KOLOS, W
论文数:
0
引用数:
0
h-index:
0
KOLOS, W
;
LIE, GC
论文数:
0
引用数:
0
h-index:
0
LIE, GC
;
RANGHINO, G
论文数:
0
引用数:
0
h-index:
0
RANGHINO, G
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1980,
17
(03)
:377
-398
[8]
STUDIES OF MOLECULAR ASSOCIATION IN H2O AND D2O VAPORS BY MEASUREMENT OF THERMAL-CONDUCTIVITY
[J].
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
Chemical Engineering Division, Argonne National Laboratory, Argonne
CURTISS, LA
;
FRURIP, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
Chemical Engineering Division, Argonne National Laboratory, Argonne
FRURIP, DJ
;
BLANDER, M
论文数:
0
引用数:
0
h-index:
0
机构:
Chemical Engineering Division, Argonne National Laboratory, Argonne
BLANDER, M
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(06)
:2703
-2711
[9]
THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS
[J].
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(09)
:4858
-+
[10]
THEORY OF MOLECULAR-INTERACTIONS .3. COMPARISON OF STUDIES OF H2O POLYMERS USING DIFFERENT MOLECULAR-ORBITAL BASIS SETS
[J].
DELBENE, JE
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
DELBENE, JE
;
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
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(09)
:3605
-3608
←
1
2
3
4
5
→