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MC SCF CALCULATIONS ON LOWEST TRIPLET-STATE OF H2O
被引:30
作者
:
HOSTENY, RP
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
HOSTENY, RP
HINDS, AR
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
HINDS, AR
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
WAHL, AC
KRAUSS, M
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
KRAUSS, M
机构
:
[1]
ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
[2]
NBS,WASHINGTON,DC 20234
来源
:
CHEMICAL PHYSICS LETTERS
|
1973年
/ 23卷
/ 01期
关键词
:
D O I
:
10.1016/0009-2614(73)89550-8
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:9 / 12
页数:4
相关论文
共 29 条
[1]
AZRIA R, 1971, CR ACAD SCI B PHYS, V273, P944
[2]
The lowest singlet and triplet potential surfaces of H2O
Bader, R. F. W.
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON, Canada
McMaster Univ, Dept Chem, Hamilton, ON, Canada
Bader, R. F. W.
Gangi, R. A.
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON, Canada
McMaster Univ, Dept Chem, Hamilton, ON, Canada
Gangi, R. A.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(04)
: 312
-
316
[3]
THEORETICAL INVESTIGATIONS OF CHEMISTRY OF SINGLET AND TRIPLET SPECIES .1. INSERTION AND ABSTRACTION REACTIONS
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
BADER, RFW
GANGI, RA
论文数:
0
引用数:
0
h-index:
0
GANGI, RA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(08)
: 1831
-
&
[4]
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
-
&
[5]
THRESHOLD ELECTRON IMPACT EXCITATION OF ATOMS AND MOLECULES - DETECTION OF TRIPLET AND TEMPORARY NEGATIVE ION STATES
COMPTON, RN
论文数:
0
引用数:
0
h-index:
0
COMPTON, RN
HUEBNER, RH
论文数:
0
引用数:
0
h-index:
0
HUEBNER, RH
REINHARDT, PW
论文数:
0
引用数:
0
h-index:
0
REINHARDT, PW
CHRISTOPHOROU, LG
论文数:
0
引用数:
0
h-index:
0
CHRISTOPHOROU, LG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(02)
: 901
-
+
[6]
DAS G, 1972, ANL7955 REP
[7]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[8]
STUDY OF POTENTIAL SURFACES OF GROUND AND FIRST EXCITED SINGLET STATES OF H2O
GANGI, RA
论文数:
0
引用数:
0
h-index:
0
GANGI, RA
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
BADER, RFW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(11)
: 5369
-
+
[9]
AB INITIO CALCULATION OF SOME LOWER-LYING EXCITED STATES OF H2O
HORSLEY, JA
论文数:
0
引用数:
0
h-index:
0
HORSLEY, JA
FINK, WH
论文数:
0
引用数:
0
h-index:
0
FINK, WH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(02)
: 750
-
&
[10]
HOSTENY RP, UNPUBLISHED WORK
←
1
2
3
→
共 29 条
[1]
AZRIA R, 1971, CR ACAD SCI B PHYS, V273, P944
[2]
The lowest singlet and triplet potential surfaces of H2O
Bader, R. F. W.
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON, Canada
McMaster Univ, Dept Chem, Hamilton, ON, Canada
Bader, R. F. W.
Gangi, R. A.
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON, Canada
McMaster Univ, Dept Chem, Hamilton, ON, Canada
Gangi, R. A.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(04)
: 312
-
316
[3]
THEORETICAL INVESTIGATIONS OF CHEMISTRY OF SINGLET AND TRIPLET SPECIES .1. INSERTION AND ABSTRACTION REACTIONS
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
BADER, RFW
GANGI, RA
论文数:
0
引用数:
0
h-index:
0
GANGI, RA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(08)
: 1831
-
&
[4]
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
-
&
[5]
THRESHOLD ELECTRON IMPACT EXCITATION OF ATOMS AND MOLECULES - DETECTION OF TRIPLET AND TEMPORARY NEGATIVE ION STATES
COMPTON, RN
论文数:
0
引用数:
0
h-index:
0
COMPTON, RN
HUEBNER, RH
论文数:
0
引用数:
0
h-index:
0
HUEBNER, RH
REINHARDT, PW
论文数:
0
引用数:
0
h-index:
0
REINHARDT, PW
CHRISTOPHOROU, LG
论文数:
0
引用数:
0
h-index:
0
CHRISTOPHOROU, LG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(02)
: 901
-
+
[6]
DAS G, 1972, ANL7955 REP
[7]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[8]
STUDY OF POTENTIAL SURFACES OF GROUND AND FIRST EXCITED SINGLET STATES OF H2O
GANGI, RA
论文数:
0
引用数:
0
h-index:
0
GANGI, RA
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
BADER, RFW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(11)
: 5369
-
+
[9]
AB INITIO CALCULATION OF SOME LOWER-LYING EXCITED STATES OF H2O
HORSLEY, JA
论文数:
0
引用数:
0
h-index:
0
HORSLEY, JA
FINK, WH
论文数:
0
引用数:
0
h-index:
0
FINK, WH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(02)
: 750
-
&
[10]
HOSTENY RP, UNPUBLISHED WORK
←
1
2
3
→