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CALCULATION OF ELECTRON-AFFINITY AND (A-1(1)-B-3(1)T0) VALUE OF METHYLENE USING ABINITIO MRD CI METHOD FOR A LARGE AO BASIS
被引:110
作者
:
SHIH, SK
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL, GERMANY
SHIH, SK
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL, GERMANY
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL, GERMANY
BUENKER, RJ
PERIC, M
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL, GERMANY
PERIC, M
机构
:
[1]
GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL, GERMANY
[2]
FAK PRIRODNO MATEMATICKOG BEOGRAD, INST FIZ HEMIJU, YU-11000 BEOGRAD, YUGOSLAVIA
来源
:
CHEMICAL PHYSICS LETTERS
|
1978年
/ 55卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(78)87003-1
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:206 / 212
页数:7
相关论文
共 34 条
[1]
BAUSCHLICHER CW, PREPRINT
[2]
SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
;
FRANCESC.DR
论文数:
0
引用数:
0
h-index:
0
FRANCESC.DR
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(20)
:6888
-+
[3]
C-13 HYPERFINE INTERACTION IN CD
[J].
BERNHEIM, RA
论文数:
0
引用数:
0
h-index:
0
BERNHEIM, RA
;
BERNARD, HW
论文数:
0
引用数:
0
h-index:
0
BERNARD, HW
;
WANG, PS
论文数:
0
引用数:
0
h-index:
0
WANG, PS
;
WOOD, LS
论文数:
0
引用数:
0
h-index:
0
WOOD, LS
;
SKELL, PS
论文数:
0
引用数:
0
h-index:
0
SKELL, PS
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(07)
:3223
-&
[4]
ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2
[J].
BERNHEIM, RA
论文数:
0
引用数:
0
h-index:
0
BERNHEIM, RA
;
BERNARD, HW
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h-index:
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BERNARD, HW
;
WANG, PS
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WANG, PS
;
WOOD, LS
论文数:
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WOOD, LS
;
SKELL, PS
论文数:
0
引用数:
0
h-index:
0
SKELL, PS
.
JOURNAL OF CHEMICAL PHYSICS,
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53
(03)
:1280
-&
[5]
ENERGY EXTRAPOLATION IN CI CALCULATIONS
[J].
BUENKER, RJ
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0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
PEYERIMHOFF, SD
.
THEORETICA CHIMICA ACTA,
1975,
39
(03)
:217
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[6]
AB-INITIO VIBRATIONAL ANALYSIS OF SCHUMANN-RUNGE BANDS AND NEIGHBORING ABSORPTION REGION OF MOLECULAR-OXYGEN
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
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引用数:
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PEYERIMHOFF, SD
;
PERIC, M
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UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PERIC, M
.
CHEMICAL PHYSICS LETTERS,
1976,
42
(02)
:383
-389
[7]
BUENKER RJ, UNPUBLISHED
[8]
CHEMICAL EVIDENCE FOR A SMALL CH2(1A1)-CH2(3SIGMAG-) ELECTRONIC TERM DIFFERENCE
[J].
CARR, RW
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0
引用数:
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TOPOR, MG
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JOURNAL OF CHEMICAL PHYSICS,
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(12)
:4716
-&
[9]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
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引用数:
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JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
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[10]
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[J].
ELBERT, ST
论文数:
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引用数:
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h-index:
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机构:
UNIV WASHINGTON,CHEM DEPT BG-10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG-10,SEATTLE,WA 98195
ELBERT, ST
;
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
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1974,
8
(06)
:857
-892
←
1
2
3
4
→
共 34 条
[1]
BAUSCHLICHER CW, PREPRINT
[2]
SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
;
FRANCESC.DR
论文数:
0
引用数:
0
h-index:
0
FRANCESC.DR
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(20)
:6888
-+
[3]
C-13 HYPERFINE INTERACTION IN CD
[J].
BERNHEIM, RA
论文数:
0
引用数:
0
h-index:
0
BERNHEIM, RA
;
BERNARD, HW
论文数:
0
引用数:
0
h-index:
0
BERNARD, HW
;
WANG, PS
论文数:
0
引用数:
0
h-index:
0
WANG, PS
;
WOOD, LS
论文数:
0
引用数:
0
h-index:
0
WOOD, LS
;
SKELL, PS
论文数:
0
引用数:
0
h-index:
0
SKELL, PS
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(07)
:3223
-&
[4]
ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2
[J].
BERNHEIM, RA
论文数:
0
引用数:
0
h-index:
0
BERNHEIM, RA
;
BERNARD, HW
论文数:
0
引用数:
0
h-index:
0
BERNARD, HW
;
WANG, PS
论文数:
0
引用数:
0
h-index:
0
WANG, PS
;
WOOD, LS
论文数:
0
引用数:
0
h-index:
0
WOOD, LS
;
SKELL, PS
论文数:
0
引用数:
0
h-index:
0
SKELL, PS
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(03)
:1280
-&
[5]
ENERGY EXTRAPOLATION IN CI CALCULATIONS
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
PEYERIMHOFF, SD
.
THEORETICA CHIMICA ACTA,
1975,
39
(03)
:217
-228
[6]
AB-INITIO VIBRATIONAL ANALYSIS OF SCHUMANN-RUNGE BANDS AND NEIGHBORING ABSORPTION REGION OF MOLECULAR-OXYGEN
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PEYERIMHOFF, SD
;
PERIC, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PERIC, M
.
CHEMICAL PHYSICS LETTERS,
1976,
42
(02)
:383
-389
[7]
BUENKER RJ, UNPUBLISHED
[8]
CHEMICAL EVIDENCE FOR A SMALL CH2(1A1)-CH2(3SIGMAG-) ELECTRONIC TERM DIFFERENCE
[J].
CARR, RW
论文数:
0
引用数:
0
h-index:
0
CARR, RW
;
EDER, TW
论文数:
0
引用数:
0
h-index:
0
EDER, TW
;
TOPOR, MG
论文数:
0
引用数:
0
h-index:
0
TOPOR, MG
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4716
-&
[9]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[10]
AB-INITIO CALCULATIONS ON UREA
[J].
ELBERT, ST
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
ELBERT, ST
;
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
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1974,
8
(06)
:857
-892
←
1
2
3
4
→