学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
AB-INITIO CALCULATIONS OF SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .12. IONS CH+5 AND CH-5
被引:107
作者
:
DYCZMONS, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GOTTINGEN, LEHRSTUHL THEORET CHEM, GOTTINGEN, WEST GERMANY
DYCZMONS, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GOTTINGEN, LEHRSTUHL THEORET CHEM, GOTTINGEN, WEST GERMANY
KUTZELNIGG, W
机构
:
[1]
UNIV GOTTINGEN, LEHRSTUHL THEORET CHEM, GOTTINGEN, WEST GERMANY
[2]
RUHR UNIV BOCHUM, LEHRSTUHL THEORET CHEM, GEBAUDE NC-03 OG NORD, UNIVERSITATS STR 150, D-4630 BOCHUM, WEST GERMANY
来源
:
THEORETICA CHIMICA ACTA
|
1974年
/ 33卷
/ 03期
关键词
:
D O I
:
10.1007/BF00551258
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:239 / 247
页数:9
相关论文
共 16 条
[1]
AHLRICHS R, TO BE PUBLISHED
[2]
COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
DEDIEU, A
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
VEILLARD, A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
: 6730
-
&
[3]
DEDIEU A, 1973, 6 P JER S QUANT CHEM
[4]
AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION
DRIESSLER, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
DRIESSLER, F
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
AHLRICHS, R
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
STAEMMLER, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
KUTZELNIGG, W
[J].
THEORETICA CHIMICA ACTA,
1973,
30
(04):
: 315
-
326
[5]
Near Hartree-Fock energy and equilibrium geometry of CH5+
Dyczmons, V.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Dyczmons, V.
Staemmler, V.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Staemmler, V.
Kutzelnigg, W.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Kutzelnigg, W.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(06)
: 361
-
366
[6]
DYCZMONS V, TO BE PUBLISHED
[7]
An investigation of the geometry of the CH(5)(+) ion by the CNDO method
Gamba, A.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Gamba, A.
Morosi, G.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Morosi, G.
Simonetta, M.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Simonetta, M.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(01)
: 20
-
21
[8]
MOLECULAR-ORBITAL THEORY OF SIMPLE CARBONIUM-IONS
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
CHEMICAL PHYSICS LETTERS,
1972,
14
(04)
: 385
-
+
[9]
The equilibrium geometry and electronic structure of the CH5 cation calculated with CNDO
Kollmar, H.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Kollmar, H.
Smith, H. O.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Smith, H. O.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(01)
: 7
-
9
[10]
PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART, INST THEORET PHYS CHEM, STUTTGART, GERMANY
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
: 1017
-
1035
←
1
2
→
共 16 条
[1]
AHLRICHS R, TO BE PUBLISHED
[2]
COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
DEDIEU, A
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
VEILLARD, A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
: 6730
-
&
[3]
DEDIEU A, 1973, 6 P JER S QUANT CHEM
[4]
AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION
DRIESSLER, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
DRIESSLER, F
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
AHLRICHS, R
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
STAEMMLER, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, KARLSRUHE, WEST GERMANY
KUTZELNIGG, W
[J].
THEORETICA CHIMICA ACTA,
1973,
30
(04):
: 315
-
326
[5]
Near Hartree-Fock energy and equilibrium geometry of CH5+
Dyczmons, V.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Dyczmons, V.
Staemmler, V.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Staemmler, V.
Kutzelnigg, W.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Univ Gottingen, Theoret Chem Grp, D-3400 Gottingen, Germany
Kutzelnigg, W.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(06)
: 361
-
366
[6]
DYCZMONS V, TO BE PUBLISHED
[7]
An investigation of the geometry of the CH(5)(+) ion by the CNDO method
Gamba, A.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Gamba, A.
Morosi, G.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Morosi, G.
Simonetta, M.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Univ Milan, Inst Phys Chem, I-20133 Milan, Italy
Simonetta, M.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(01)
: 20
-
21
[8]
MOLECULAR-ORBITAL THEORY OF SIMPLE CARBONIUM-IONS
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
CHEMICAL PHYSICS LETTERS,
1972,
14
(04)
: 385
-
+
[9]
The equilibrium geometry and electronic structure of the CH5 cation calculated with CNDO
Kollmar, H.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Kollmar, H.
Smith, H. O.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Max Planck Inst Med Forsch, D-69120 Heidelberg 1, Germany
Smith, H. O.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(01)
: 7
-
9
[10]
PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART, INST THEORET PHYS CHEM, STUTTGART, GERMANY
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
: 1017
-
1035
←
1
2
→