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A COMPARATIVE ABINITIO STUDY OF THE STRUCTURES, DIPOLE-MOMENTS, FORCE-FIELDS, AND ANHARMONIC FREQUENCIES OF FORMAMIDE AND THIOFORMAMIDE
被引:26
作者
:
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
BOCK, CW
[
1
]
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
TRACHTMAN, M
[
1
]
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
GEORGE, P
[
1
]
机构
:
[1]
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
来源
:
JOURNAL OF MOLECULAR SPECTROSCOPY
|
1981年
/ 89卷
/ 01期
关键词
:
D O I
:
10.1016/0022-2852(81)90161-2
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
O56 [分子物理学、原子物理学];
学科分类号
:
070203 ;
070304 ;
081704 ;
1406 ;
摘要
:
引用
收藏
页码:76 / 92
页数:17
相关论文
共 64 条
[1]
BJARNOV E, 1978, Z NATURFORSCH A, V33, P610
[2]
APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1976,
31
(05)
:1377
-1391
[3]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .6. DIMETHYLETHER - GENERAL VALENCE FORCE-FIELD SCALED ON EXPERIMENTAL FREQUENCIES, IR AND RAMAN INTENSITIES
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
ALTONA, C
;
OSKAM, A
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
OSKAM, A
.
MOLECULAR PHYSICS,
1977,
34
(02)
:557
-571
[4]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .5. ETHENE - GENERAL VALENCE FORCE-FIELD SCALED ON HARMONIC AND ANHARMONIC DATA, IR AND RAMAN INTENSITIES
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1977,
34
(01)
:177
-192
[5]
AN ABINITIO STUDY OF THE INPLANE HARMONIC FORCE-FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-1,3-BUTADIENE AND TRANS-1,3-BUTADIENE
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1980,
84
(01)
:243
-255
[6]
ABINITIO INVESTIGATION OF THE HARMONIC FORCE-FIELDS AND VIBRATIONAL FREQUENCIES OF ETHYLENE AND CIS-1,2-DIFLUOROETHYLENE AND TRANS-1,2-DIFLUOROETHYLENE
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1979,
76
(1-3)
:191
-203
[7]
ABINITIO STUDY OF THE GEOMETRIES, ANHARMONIC-FORCE FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-FORMIC AND TRANS-FORMIC ACID
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1980,
80
(01)
:131
-144
[8]
AN ABINITIO STUDY OF THE HARMONIC AND ANHARMONIC-FORCE FIELD AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF PERFORMIC ACID
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1980,
84
(01)
:256
-271
[9]
AN ABINITIO STUDY OF THE GEOMETRY, HARMONIC AND ANHARMONIC-FORCE FIELDS, AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF CIS-THIOLFORMIC AND TRANS-THIOLFORMIC ACID
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
GEORGE, P
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1980,
1
(02)
:167
-177
[10]
ABINITIO STUDY OF DEPENDENCE OF MOLECULAR-GEOMETRY ON BASIS SET .1. ETHYLENE
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
BOCK, CW
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
GEORGE, P
;
MAINS, GJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
MAINS, GJ
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
TRACHTMAN, M
.
JOURNAL OF MOLECULAR STRUCTURE,
1978,
49
(01)
:215
-219
←
1
2
3
4
5
6
7
→
共 64 条
[1]
BJARNOV E, 1978, Z NATURFORSCH A, V33, P610
[2]
APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1976,
31
(05)
:1377
-1391
[3]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .6. DIMETHYLETHER - GENERAL VALENCE FORCE-FIELD SCALED ON EXPERIMENTAL FREQUENCIES, IR AND RAMAN INTENSITIES
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
ALTONA, C
;
OSKAM, A
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
OSKAM, A
.
MOLECULAR PHYSICS,
1977,
34
(02)
:557
-571
[4]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .5. ETHENE - GENERAL VALENCE FORCE-FIELD SCALED ON HARMONIC AND ANHARMONIC DATA, IR AND RAMAN INTENSITIES
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1977,
34
(01)
:177
-192
[5]
AN ABINITIO STUDY OF THE INPLANE HARMONIC FORCE-FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-1,3-BUTADIENE AND TRANS-1,3-BUTADIENE
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENNSYLVANIA,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1980,
84
(01)
:243
-255
[6]
ABINITIO INVESTIGATION OF THE HARMONIC FORCE-FIELDS AND VIBRATIONAL FREQUENCIES OF ETHYLENE AND CIS-1,2-DIFLUOROETHYLENE AND TRANS-1,2-DIFLUOROETHYLENE
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1979,
76
(1-3)
:191
-203
[7]
ABINITIO STUDY OF THE GEOMETRIES, ANHARMONIC-FORCE FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-FORMIC AND TRANS-FORMIC ACID
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1980,
80
(01)
:131
-144
[8]
AN ABINITIO STUDY OF THE HARMONIC AND ANHARMONIC-FORCE FIELD AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF PERFORMIC ACID
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147
GEORGE, P
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1980,
84
(01)
:256
-271
[9]
AN ABINITIO STUDY OF THE GEOMETRY, HARMONIC AND ANHARMONIC-FORCE FIELDS, AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF CIS-THIOLFORMIC AND TRANS-THIOLFORMIC ACID
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
BOCK, CW
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
TRACHTMAN, M
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
GEORGE, P
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1980,
1
(02)
:167
-177
[10]
ABINITIO STUDY OF DEPENDENCE OF MOLECULAR-GEOMETRY ON BASIS SET .1. ETHYLENE
[J].
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
BOCK, CW
;
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
GEORGE, P
;
MAINS, GJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
MAINS, GJ
;
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
TRACHTMAN, M
.
JOURNAL OF MOLECULAR STRUCTURE,
1978,
49
(01)
:215
-219
←
1
2
3
4
5
6
7
→