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DIATOMICS-IN-MOLECULES MODELS FOR H2O AND H2O- .2. A SELF-CONSISTENT DESCRIPTION OF THE 1A', 1A'', 3A', AND 3A'' STATES OF H2O
被引:36
作者
:
POLAK, R
论文数:
0
引用数:
0
h-index:
0
POLAK, R
PAIDAROVA, I
论文数:
0
引用数:
0
h-index:
0
PAIDAROVA, I
KUNTZ, PJ
论文数:
0
引用数:
0
h-index:
0
KUNTZ, PJ
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1987年
/ 87卷
/ 05期
关键词
:
D O I
:
10.1063/1.453074
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:2863 / 2874
页数:12
相关论文
共 38 条
[1]
QUASICLASSICAL TRAJECTORY STUDY OF THE REACTION O(3P)+H2-]OH+H - THE EFFECTS OF THE LOCATION OF THE POTENTIAL-ENERGY BARRIER, VIBRATIONAL-EXCITATION AND ISOTOPIC-SUBSTITUTION ON THE DYNAMICS
BROIDA, M
论文数:
0
引用数:
0
h-index:
0
BROIDA, M
PERSKY, A
论文数:
0
引用数:
0
h-index:
0
PERSKY, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(08)
: 3687
-
3695
[2]
QUANTUM AND QUASICLASSICAL STUDY OF THE COLLINEAR REACTION O(3P)+H2-]OH+H USING A LEPS AND FITTED ABINITIO POTENTIAL-ENERGY SURFACE
CLARY, DC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Manchester, Manchester
CLARY, DC
CONNOR, JNL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Manchester, Manchester
CONNOR, JNL
EDGE, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Manchester, Manchester
EDGE, CJ
[J].
CHEMICAL PHYSICS LETTERS,
1979,
68
(01)
: 154
-
157
[3]
THEORETICAL INTERPRETATION OF OPTICAL AND ELECTRON SCATTERING SPECTRA OF H2O
CLAYDON, CR
论文数:
0
引用数:
0
h-index:
0
CLAYDON, CR
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
TAYLOR, HS
论文数:
0
引用数:
0
h-index:
0
TAYLOR, HS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(09)
: 3799
-
&
[4]
SINGLET TRIPLET SURFACE CROSSINGS AND LOW-TEMPERATURE RATE ENHANCEMENT FOR O(3P)+H-2-]OH+H
DONALDSON, DJ
论文数:
0
引用数:
0
h-index:
0
DONALDSON, DJ
WRIGHT, JS
论文数:
0
引用数:
0
h-index:
0
WRIGHT, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(01)
: 221
-
231
[5]
AN ABINITIO DESCRIPTION OF THE EXCITED-STATES OF THE REACTION O(3P, 1D) + H2-]OH(2PI,2SIGMA+) + H - AN ATTEMPT TO DESCRIBE SEVERAL POTENTIAL-ENERGY SURFACES WITH CONSTANT ACCURACY
DURAND, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
DURAND, G
CHAPUISAT, X
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
CHAPUISAT, X
[J].
CHEMICAL PHYSICS,
1985,
96
(03)
: 381
-
407
[6]
A METHOD OF DIATOMICS IN MOLECULES .1. GENERAL THEORY AND APPLICATION TO H2O
ELLISON, FO
论文数:
0
引用数:
0
h-index:
0
ELLISON, FO
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1963,
85
(22)
: 3540
-
&
[7]
HESSLICH J, 1986, Z PHYS D ATOM MOL CL, V2, P251, DOI 10.1007/BF01429082
[8]
EXTENDED BASIS 1ST-ORDER CL STUDY OF THE A-1', A-3'', A-1'', AND B A-1', POTENTIAL-ENERGY SURFACES OF THE O(P-3, D-1)+H2(SIGMA-1-G[+]) REACTION
HOWARD, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
HOWARD, RE
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
MCLEAN, AD
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
LESTER, WA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(06)
: 2412
-
2420
[9]
CEPA CALCULATIONS OF POTENTIAL-ENERGY SURFACES FOR OPEN-SHELL SYSTEMS .1. THE REACTION OF O(P-3) WITH H-2(SIGMA-1G+)
JAQUET, R
论文数:
0
引用数:
0
h-index:
0
JAQUET, R
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
STAEMMLER, V
[J].
CHEMICAL PHYSICS,
1981,
59
(03)
: 373
-
385
[10]
KUNTZ PD, UNPUB
←
1
2
3
4
→
共 38 条
[1]
QUASICLASSICAL TRAJECTORY STUDY OF THE REACTION O(3P)+H2-]OH+H - THE EFFECTS OF THE LOCATION OF THE POTENTIAL-ENERGY BARRIER, VIBRATIONAL-EXCITATION AND ISOTOPIC-SUBSTITUTION ON THE DYNAMICS
BROIDA, M
论文数:
0
引用数:
0
h-index:
0
BROIDA, M
PERSKY, A
论文数:
0
引用数:
0
h-index:
0
PERSKY, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(08)
: 3687
-
3695
[2]
QUANTUM AND QUASICLASSICAL STUDY OF THE COLLINEAR REACTION O(3P)+H2-]OH+H USING A LEPS AND FITTED ABINITIO POTENTIAL-ENERGY SURFACE
CLARY, DC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Manchester, Manchester
CLARY, DC
CONNOR, JNL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Manchester, Manchester
CONNOR, JNL
EDGE, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Manchester, Manchester
EDGE, CJ
[J].
CHEMICAL PHYSICS LETTERS,
1979,
68
(01)
: 154
-
157
[3]
THEORETICAL INTERPRETATION OF OPTICAL AND ELECTRON SCATTERING SPECTRA OF H2O
CLAYDON, CR
论文数:
0
引用数:
0
h-index:
0
CLAYDON, CR
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
TAYLOR, HS
论文数:
0
引用数:
0
h-index:
0
TAYLOR, HS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(09)
: 3799
-
&
[4]
SINGLET TRIPLET SURFACE CROSSINGS AND LOW-TEMPERATURE RATE ENHANCEMENT FOR O(3P)+H-2-]OH+H
DONALDSON, DJ
论文数:
0
引用数:
0
h-index:
0
DONALDSON, DJ
WRIGHT, JS
论文数:
0
引用数:
0
h-index:
0
WRIGHT, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(01)
: 221
-
231
[5]
AN ABINITIO DESCRIPTION OF THE EXCITED-STATES OF THE REACTION O(3P, 1D) + H2-]OH(2PI,2SIGMA+) + H - AN ATTEMPT TO DESCRIBE SEVERAL POTENTIAL-ENERGY SURFACES WITH CONSTANT ACCURACY
DURAND, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
DURAND, G
CHAPUISAT, X
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
UNIV PARIS 11, CNRS, ERA 549, CHIM THEOR LAB, F-91405 ORSAY, FRANCE
CHAPUISAT, X
[J].
CHEMICAL PHYSICS,
1985,
96
(03)
: 381
-
407
[6]
A METHOD OF DIATOMICS IN MOLECULES .1. GENERAL THEORY AND APPLICATION TO H2O
ELLISON, FO
论文数:
0
引用数:
0
h-index:
0
ELLISON, FO
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1963,
85
(22)
: 3540
-
&
[7]
HESSLICH J, 1986, Z PHYS D ATOM MOL CL, V2, P251, DOI 10.1007/BF01429082
[8]
EXTENDED BASIS 1ST-ORDER CL STUDY OF THE A-1', A-3'', A-1'', AND B A-1', POTENTIAL-ENERGY SURFACES OF THE O(P-3, D-1)+H2(SIGMA-1-G[+]) REACTION
HOWARD, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
HOWARD, RE
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
MCLEAN, AD
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
LESTER, WA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(06)
: 2412
-
2420
[9]
CEPA CALCULATIONS OF POTENTIAL-ENERGY SURFACES FOR OPEN-SHELL SYSTEMS .1. THE REACTION OF O(P-3) WITH H-2(SIGMA-1G+)
JAQUET, R
论文数:
0
引用数:
0
h-index:
0
JAQUET, R
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
STAEMMLER, V
[J].
CHEMICAL PHYSICS,
1981,
59
(03)
: 373
-
385
[10]
KUNTZ PD, UNPUB
←
1
2
3
4
→