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ABINITIO CALCULATIONS OF VIBRATIONAL PROPERTIES OF SOME LINEAR TRIATOMIC-MOLECULES .2. ANHARMONIC-FORCE FIELDS
被引:22
作者
:
STEELE, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
STEELE, D
[
1
]
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
PERSON, WB
[
1
]
BROWN, KG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
BROWN, KG
[
1
]
机构
:
[1]
UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1981年
/ 85卷
/ 14期
关键词
:
D O I
:
10.1021/j150614a011
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:2007 / 2012
页数:6
相关论文
共 30 条
[1]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .3. EQUILIBRIUM STRUCTURE OF WATER, METHANOL AND DIMETHYL ETHER, GENERAL VALENCE FORCE-FIELD OF WATER AND METHANOL SCALED ON EXPERIMENTAL FREQUENCIES
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
OTTO, LP
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
OTTO, LP
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1976,
32
(04)
:1137
-1149
[2]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES
[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,
33
(03)
:875
-885
[3]
ABINITIO STRETCHING FORCE CONSTANTS FOR HCCH, FCCH AND CICCH
[J].
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
;
SRINIVASAN, K
论文数:
0
引用数:
0
h-index:
0
SRINIVASAN, K
;
MEYER, W
论文数:
0
引用数:
0
h-index:
0
MEYER, W
.
MOLECULAR PHYSICS,
1978,
35
(04)
:1177
-1181
[4]
POTENTIAL-ENERGY FUNCTION OF NITROUS-OXIDE MOLECULE USING PURE VIBRATIONAL DATA
[J].
CHEDIN, A
论文数:
0
引用数:
0
h-index:
0
机构:
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
CHEDIN, A
;
AMIOT, C
论文数:
0
引用数:
0
h-index:
0
机构:
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
AMIOT, C
;
CIHLA, Z
论文数:
0
引用数:
0
h-index:
0
机构:
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
CIHLA, Z
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1976,
63
(03)
:348
-369
[5]
VIBRATIONAL INTENSITIES .1. THEORY OF DIATOMIC INFRA-RED BANDS
[J].
CRAWFORD, BL
论文数:
0
引用数:
0
h-index:
0
CRAWFORD, BL
;
DINSMORE, HL
论文数:
0
引用数:
0
h-index:
0
DINSMORE, HL
.
JOURNAL OF CHEMICAL PHYSICS,
1950,
18
(07)
:983
-987
[6]
ANHARMONIC-FORCE FIELD FOR CARBONYL SULFIDE
[J].
FOORD, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
FOORD, A
;
SMITH, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
SMITH, JG
;
WHIFFEN, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
WHIFFEN, DH
.
MOLECULAR PHYSICS,
1975,
29
(06)
:1685
-1704
[7]
HEHRE WJ, 1971, 236 IND U QUANT CHEM
[8]
VIBRATION-ROTATION PROBLEM IN TRIATOMIC MOLECULES ALLOWING FOR A LARGE-AMPLITUDE BENDING VIBRATION
[J].
HOUGEN, JT
论文数:
0
引用数:
0
h-index:
0
HOUGEN, JT
;
BUNKER, PR
论文数:
0
引用数:
0
h-index:
0
BUNKER, PR
;
JOHNS, JWC
论文数:
0
引用数:
0
h-index:
0
JOHNS, JWC
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1970,
34
(01)
:136
-&
[9]
THEORETICAL DIPOLE-MOMENT DERIVATIVES AND FORCE CONSTANTS FOR HCN
[J].
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
LIU, B
;
SANDO, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
SANDO, KM
;
NORTH, CS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
NORTH, CS
;
FRIEDRICH, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
FRIEDRICH, HB
;
CHIPMAN, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
CHIPMAN, DM
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(04)
:1425
-1428
[10]
PNO-CL AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .3. SPECTROSCOPIC CONSTANTS AND DIPOLE-MOMENT FUNCTIONS FOR GROUND-STATES OF FIRST-ROW AND SECOND-ROW DIATOMIC HYDRIDES
[J].
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
MEYER, W
;
ROSMUS, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
ROSMUS, P
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(06)
:2356
-2375
←
1
2
3
→
共 30 条
[1]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .3. EQUILIBRIUM STRUCTURE OF WATER, METHANOL AND DIMETHYL ETHER, GENERAL VALENCE FORCE-FIELD OF WATER AND METHANOL SCALED ON EXPERIMENTAL FREQUENCIES
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
OTTO, LP
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
OTTO, LP
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1976,
32
(04)
:1137
-1149
[2]
APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES
[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,
33
(03)
:875
-885
[3]
ABINITIO STRETCHING FORCE CONSTANTS FOR HCCH, FCCH AND CICCH
[J].
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
;
SRINIVASAN, K
论文数:
0
引用数:
0
h-index:
0
SRINIVASAN, K
;
MEYER, W
论文数:
0
引用数:
0
h-index:
0
MEYER, W
.
MOLECULAR PHYSICS,
1978,
35
(04)
:1177
-1181
[4]
POTENTIAL-ENERGY FUNCTION OF NITROUS-OXIDE MOLECULE USING PURE VIBRATIONAL DATA
[J].
CHEDIN, A
论文数:
0
引用数:
0
h-index:
0
机构:
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
CHEDIN, A
;
AMIOT, C
论文数:
0
引用数:
0
h-index:
0
机构:
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
AMIOT, C
;
CIHLA, Z
论文数:
0
引用数:
0
h-index:
0
机构:
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
LAB PHYS MOLEC & OPTIQUE ATMOSPH ORSAY,F-91405 ORSAY,FRANCE
CIHLA, Z
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1976,
63
(03)
:348
-369
[5]
VIBRATIONAL INTENSITIES .1. THEORY OF DIATOMIC INFRA-RED BANDS
[J].
CRAWFORD, BL
论文数:
0
引用数:
0
h-index:
0
CRAWFORD, BL
;
DINSMORE, HL
论文数:
0
引用数:
0
h-index:
0
DINSMORE, HL
.
JOURNAL OF CHEMICAL PHYSICS,
1950,
18
(07)
:983
-987
[6]
ANHARMONIC-FORCE FIELD FOR CARBONYL SULFIDE
[J].
FOORD, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
FOORD, A
;
SMITH, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
SMITH, JG
;
WHIFFEN, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT PHYS CHEM,NEWCASTLE TYNE NE1 7RU,ENGLAND
WHIFFEN, DH
.
MOLECULAR PHYSICS,
1975,
29
(06)
:1685
-1704
[7]
HEHRE WJ, 1971, 236 IND U QUANT CHEM
[8]
VIBRATION-ROTATION PROBLEM IN TRIATOMIC MOLECULES ALLOWING FOR A LARGE-AMPLITUDE BENDING VIBRATION
[J].
HOUGEN, JT
论文数:
0
引用数:
0
h-index:
0
HOUGEN, JT
;
BUNKER, PR
论文数:
0
引用数:
0
h-index:
0
BUNKER, PR
;
JOHNS, JWC
论文数:
0
引用数:
0
h-index:
0
JOHNS, JWC
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1970,
34
(01)
:136
-&
[9]
THEORETICAL DIPOLE-MOMENT DERIVATIVES AND FORCE CONSTANTS FOR HCN
[J].
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
LIU, B
;
SANDO, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
SANDO, KM
;
NORTH, CS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
NORTH, CS
;
FRIEDRICH, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
FRIEDRICH, HB
;
CHIPMAN, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
CHIPMAN, DM
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(04)
:1425
-1428
[10]
PNO-CL AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .3. SPECTROSCOPIC CONSTANTS AND DIPOLE-MOMENT FUNCTIONS FOR GROUND-STATES OF FIRST-ROW AND SECOND-ROW DIATOMIC HYDRIDES
[J].
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
MEYER, W
;
ROSMUS, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM 3,6500 MAINZ,FED REP GER
ROSMUS, P
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(06)
:2356
-2375
←
1
2
3
→