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EFFECTS OF 1B1 MOLECULAR-ORBITAL ON GEOMETRY OF AH2 SYSTEMS
被引:4
作者
:
TAKAHATA, Y
论文数:
0
引用数:
0
h-index:
0
TAKAHATA, Y
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1978年
/ 59卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(78)85022-2
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:472 / 477
页数:6
相关论文
共 25 条
[11]
LASER PHOTOELECTRON SPECTROMETRY OF NEGATIVE-IONS OF SILICON AND ITS HYDRIDES
[J].
KASDAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
KASDAN, A
;
HERBST, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
HERBST, E
;
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LINEBERGER, WC
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(02)
:541
-548
[12]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
[J].
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
:6377
-+
[13]
ELECTROSTATIC FORCE STUDY WITH FLOATING WAVEFUNCTION - SHAPE OF H2O MOLECULE
[J].
NAKATSUJI, H
论文数:
0
引用数:
0
h-index:
0
NAKATSUJI, H
;
MATSUDA, K
论文数:
0
引用数:
0
h-index:
0
MATSUDA, K
;
YONEZAWA, T
论文数:
0
引用数:
0
h-index:
0
YONEZAWA, T
.
CHEMICAL PHYSICS LETTERS,
1978,
54
(02)
:347
-352
[14]
ELECTROSTATIC FORCE THEORY FOR A MOLECULE AND INTERACTING MOLECULES .2. SHAPES OF GROUND-STATE AND EXCITED-STATE MOLECULES
[J].
NAKATSUJI, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV, FAC ENGN, DEPT HYDROCARBON CHEM, KYOTO, JAPAN
KYOTO UNIV, FAC ENGN, DEPT HYDROCARBON CHEM, KYOTO, JAPAN
NAKATSUJI, H
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(02)
:354
-361
[15]
Pauling L., 1960, NATURE CHEM BOND
[16]
GEOMETRY OF MOLECULES .I. WAVEFUNCTIONS FOR SOME SIX-AND EIGHT-ELECTRON POLYHYDRIDES
[J].
PEYERIMHOFF, SD
论文数:
0
引用数:
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h-index:
0
PEYERIMHOFF, SD
;
BUENKER, RJ
论文数:
0
引用数:
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BUENKER, RJ
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(02)
:734
-+
[17]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
:3289
-&
[18]
LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .5. BH2-
[J].
SACHS, LM
论文数:
0
引用数:
0
h-index:
0
SACHS, LM
;
GELLER, M
论文数:
0
引用数:
0
h-index:
0
GELLER, M
;
KAUFMAN, JJ
论文数:
0
引用数:
0
h-index:
0
KAUFMAN, JJ
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(02)
:974
-&
[19]
THEORETICAL STUDIES OF NEGATIVE MOLECULAR-IONS
[J].
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1977,
28
:15
-45
[20]
ICSCF INVESTIGATION OF WALSHS RULES
[J].
STENKAMP, LZ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
STENKAMP, LZ
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
DAVIDSON, ER
.
THEORETICA CHIMICA ACTA,
1973,
30
(04)
:283
-314
←
1
2
3
→
共 25 条
[11]
LASER PHOTOELECTRON SPECTROMETRY OF NEGATIVE-IONS OF SILICON AND ITS HYDRIDES
[J].
KASDAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
KASDAN, A
;
HERBST, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
HERBST, E
;
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LINEBERGER, WC
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(02)
:541
-548
[12]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
[J].
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
:6377
-+
[13]
ELECTROSTATIC FORCE STUDY WITH FLOATING WAVEFUNCTION - SHAPE OF H2O MOLECULE
[J].
NAKATSUJI, H
论文数:
0
引用数:
0
h-index:
0
NAKATSUJI, H
;
MATSUDA, K
论文数:
0
引用数:
0
h-index:
0
MATSUDA, K
;
YONEZAWA, T
论文数:
0
引用数:
0
h-index:
0
YONEZAWA, T
.
CHEMICAL PHYSICS LETTERS,
1978,
54
(02)
:347
-352
[14]
ELECTROSTATIC FORCE THEORY FOR A MOLECULE AND INTERACTING MOLECULES .2. SHAPES OF GROUND-STATE AND EXCITED-STATE MOLECULES
[J].
NAKATSUJI, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV, FAC ENGN, DEPT HYDROCARBON CHEM, KYOTO, JAPAN
KYOTO UNIV, FAC ENGN, DEPT HYDROCARBON CHEM, KYOTO, JAPAN
NAKATSUJI, H
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(02)
:354
-361
[15]
Pauling L., 1960, NATURE CHEM BOND
[16]
GEOMETRY OF MOLECULES .I. WAVEFUNCTIONS FOR SOME SIX-AND EIGHT-ELECTRON POLYHYDRIDES
[J].
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
;
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(02)
:734
-+
[17]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
:3289
-&
[18]
LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .5. BH2-
[J].
SACHS, LM
论文数:
0
引用数:
0
h-index:
0
SACHS, LM
;
GELLER, M
论文数:
0
引用数:
0
h-index:
0
GELLER, M
;
KAUFMAN, JJ
论文数:
0
引用数:
0
h-index:
0
KAUFMAN, JJ
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(02)
:974
-&
[19]
THEORETICAL STUDIES OF NEGATIVE MOLECULAR-IONS
[J].
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1977,
28
:15
-45
[20]
ICSCF INVESTIGATION OF WALSHS RULES
[J].
STENKAMP, LZ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
STENKAMP, LZ
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
DAVIDSON, ER
.
THEORETICA CHIMICA ACTA,
1973,
30
(04)
:283
-314
←
1
2
3
→