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ABINITIO MOLECULAR-ORBITAL STUDY ON THE FORMIC-ACID DIMER
被引:127
作者
:
HAYASHI, S
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
HAYASHI, S
[
1
]
UMEMURA, J
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
UMEMURA, J
[
1
]
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
KATO, S
[
1
]
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
MOROKUMA, K
[
1
]
机构
:
[1]
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1984年
/ 88卷
/ 07期
关键词
:
D O I
:
10.1021/j150651a019
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:1330 / 1334
页数:5
相关论文
共 48 条
[31]
NAGAOKA S, COMMUNICATION
[32]
AN ABINITIO CALCULATION ON PROTON-TRANSFER IN THE BENZOIC-ACID DIMER
NAGAOKA, SI
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
NAGAOKA, SI
HIROTA, N
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
HIROTA, N
MATSUSHITA, T
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
MATSUSHITA, T
NISHIMOTO, K
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
NISHIMOTO, K
[J].
CHEMICAL PHYSICS LETTERS,
1982,
92
(05)
: 498
-
502
[33]
PERLSON WH, 1950, FLUORINE CHEM, P480
[34]
AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Hungarian Academy of Sciences, Research Group for Inorganic Chemistry, Budapest
PULAY, P
[J].
MOLECULAR PHYSICS,
1969,
17
(02)
: 197
-
&
[35]
DO PROTONS TUNNEL IN THE FORMIC-ACID DIMER AND IN THE CRYSTAL
ROBERTSON, GN
论文数:
0
引用数:
0
h-index:
0
ROBERTSON, GN
LAWRENCE, MC
论文数:
0
引用数:
0
h-index:
0
LAWRENCE, MC
[J].
CHEMICAL PHYSICS,
1981,
62
(1-2)
: 131
-
144
[36]
ROOS BO, 1977, METHODS ELECTRONIC S, pCH7
[37]
FAR-INFRARED RELAXATION IN ISOLATED FORMIC-ACID DIMER MOLECULE - POSSIBILITY OF FAST PROTON TUNNELING IN A HYDROGEN-BOND
ROTHSCHILD, WG
论文数:
0
引用数:
0
h-index:
0
机构:
FORD MOTOR CO, SCI RES STAFF, DEARBORN, MI 48121 USA
FORD MOTOR CO, SCI RES STAFF, DEARBORN, MI 48121 USA
ROTHSCHILD, WG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(08)
: 3422
-
3428
[38]
MOLECULAR-ORBITAL INVESTIGATION OF MULTIPLY HYDROGEN-BONDED SYSTEMS - FORMIC-ACID DIMER AND DNA-BASE PAIRS
SCHEINER, S
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
SCHEINER, S
KERN, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
KERN, CW
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(15)
: 4081
-
4085
[39]
AB-INITIO COMPUTATION OF FORCE CONSTANTS .1. 2ND AND 3RD PERIOD HYDRIDES
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
SCHLEGEL, HB
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WOLFE, S
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BERNARDI, F
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(08)
: 3632
-
3638
[40]
2-DIMENSIONAL DOUBLE-MINIMUM MODEL OF HYDROGEN BONDING - SYMMETRIC CASE
SINGH, TR
论文数:
0
引用数:
0
h-index:
0
SINGH, TR
WOOD, JL
论文数:
0
引用数:
0
h-index:
0
WOOD, JL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(10)
: 4567
-
&
←
1
2
3
4
5
→
共 48 条
[31]
NAGAOKA S, COMMUNICATION
[32]
AN ABINITIO CALCULATION ON PROTON-TRANSFER IN THE BENZOIC-ACID DIMER
NAGAOKA, SI
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
NAGAOKA, SI
HIROTA, N
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
HIROTA, N
MATSUSHITA, T
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
MATSUSHITA, T
NISHIMOTO, K
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
OSAKA CITY UNIV,FAC SCI,DEPT CHEM,OSAKA 558,JAPAN
NISHIMOTO, K
[J].
CHEMICAL PHYSICS LETTERS,
1982,
92
(05)
: 498
-
502
[33]
PERLSON WH, 1950, FLUORINE CHEM, P480
[34]
AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Hungarian Academy of Sciences, Research Group for Inorganic Chemistry, Budapest
PULAY, P
[J].
MOLECULAR PHYSICS,
1969,
17
(02)
: 197
-
&
[35]
DO PROTONS TUNNEL IN THE FORMIC-ACID DIMER AND IN THE CRYSTAL
ROBERTSON, GN
论文数:
0
引用数:
0
h-index:
0
ROBERTSON, GN
LAWRENCE, MC
论文数:
0
引用数:
0
h-index:
0
LAWRENCE, MC
[J].
CHEMICAL PHYSICS,
1981,
62
(1-2)
: 131
-
144
[36]
ROOS BO, 1977, METHODS ELECTRONIC S, pCH7
[37]
FAR-INFRARED RELAXATION IN ISOLATED FORMIC-ACID DIMER MOLECULE - POSSIBILITY OF FAST PROTON TUNNELING IN A HYDROGEN-BOND
ROTHSCHILD, WG
论文数:
0
引用数:
0
h-index:
0
机构:
FORD MOTOR CO, SCI RES STAFF, DEARBORN, MI 48121 USA
FORD MOTOR CO, SCI RES STAFF, DEARBORN, MI 48121 USA
ROTHSCHILD, WG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(08)
: 3422
-
3428
[38]
MOLECULAR-ORBITAL INVESTIGATION OF MULTIPLY HYDROGEN-BONDED SYSTEMS - FORMIC-ACID DIMER AND DNA-BASE PAIRS
SCHEINER, S
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
SCHEINER, S
KERN, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
KERN, CW
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(15)
: 4081
-
4085
[39]
AB-INITIO COMPUTATION OF FORCE CONSTANTS .1. 2ND AND 3RD PERIOD HYDRIDES
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
SCHLEGEL, HB
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WOLFE, S
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BERNARDI, F
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(08)
: 3632
-
3638
[40]
2-DIMENSIONAL DOUBLE-MINIMUM MODEL OF HYDROGEN BONDING - SYMMETRIC CASE
SINGH, TR
论文数:
0
引用数:
0
h-index:
0
SINGH, TR
WOOD, JL
论文数:
0
引用数:
0
h-index:
0
WOOD, JL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(10)
: 4567
-
&
←
1
2
3
4
5
→