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ABINITIO CALCULATION OF HARMONIC FORCE-FIELDS AND VIBRATIONAL-SPECTRA FOR THE FLUOROPHOSPHORANES PH-N-F5-N (N = 0-5)
被引:32
作者
:
BREIDUNG, J
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL, D-5600 WUPPERTAL 1, FED REP GER
BREIDUNG, J
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL, D-5600 WUPPERTAL 1, FED REP GER
THIEL, W
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL, D-5600 WUPPERTAL 1, FED REP GER
KOMORNICKI, A
机构
:
[1]
BERG UNIV GESAMTHSCH WUPPERTAL, D-5600 WUPPERTAL 1, FED REP GER
[2]
POLYATOM RES INST, MT VIEW, CA 94043 USA
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1988年
/ 92卷
/ 20期
关键词
:
D O I
:
10.1021/j100331a015
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:5603 / 5611
页数:9
相关论文
共 59 条
[1]
INTRAMOLECULAR LIGAND-EXCHANGE IN PHOSPHORANES - COMPARISON OF BERRY PSEUDOROTATION AND TURNSTILE ROTATION
[J].
ALTMANN, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
ALTMANN, JA
;
YATES, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
YATES, K
;
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
CSIZMADIA, IG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(06)
:1450
-1454
[2]
CORRELATION OF RATES OF INTRAMOLECULAR TUNNELING PROCESSES, WITH APPLICATION TO SOME GROUP-V COMPOUNDS
[J].
BERRY, RS
论文数:
0
引用数:
0
h-index:
0
BERRY, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1960,
32
(03)
:933
-938
[3]
PSEUDOROTATIONAL ISOMERS OF WITTIG INTERMEDIATES - STRUCTURES AND RELATIVE ENERGIES
[J].
BESTMANN, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
BESTMANN, HJ
;
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
;
DOWNEY, WG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
DOWNEY, WG
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1980,
(20)
:978
-980
[4]
SIMULTANEOUS ANALYSIS OF 2V2, 2V5, AND V2+V5 VIBRATION-ROTATION BANDS OF CH3BR
[J].
BETRENCOURTSTIRNEMANN, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
BETRENCOURTSTIRNEMANN, C
;
GRANER, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
GRANER, G
;
JENNINGS, DE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
JENNINGS, DE
;
BLASS, WE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
BLASS, WE
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1978,
69
(02)
:179
-198
[5]
ABINITIO CALCULATION OF HARMONIC FORCE-FIELDS AND VIBRATIONAL-SPECTRA FOR THE FLUOROPHOSPHINES PH N F3-N (N = 0-3)
[J].
BREIDUNG, J
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
BREIDUNG, J
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
THIEL, W
.
JOURNAL OF PHYSICAL CHEMISTRY,
1988,
92
(20)
:5597
-5602
[6]
BURGER H, COMMUNICATION
[7]
Califano S., 1976, VIBRATIONAL STATES
[8]
ANALYSIS OF THE FOURIER-TRANSFORM SPECTRUM OF PF5 AROUND 946 CM-1
[J].
DANA, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
DANA, V
;
BORDE, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
BORDE, J
;
HENRY, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
HENRY, L
;
VALENTIN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
VALENTIN, A
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1985,
114
(01)
:42
-48
[9]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) 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,
1971,
55
(02)
:716
-+
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
[J].
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
:3654
-3665
←
1
2
3
4
5
6
→
共 59 条
[1]
INTRAMOLECULAR LIGAND-EXCHANGE IN PHOSPHORANES - COMPARISON OF BERRY PSEUDOROTATION AND TURNSTILE ROTATION
[J].
ALTMANN, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
ALTMANN, JA
;
YATES, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
YATES, K
;
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
CSIZMADIA, IG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(06)
:1450
-1454
[2]
CORRELATION OF RATES OF INTRAMOLECULAR TUNNELING PROCESSES, WITH APPLICATION TO SOME GROUP-V COMPOUNDS
[J].
BERRY, RS
论文数:
0
引用数:
0
h-index:
0
BERRY, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1960,
32
(03)
:933
-938
[3]
PSEUDOROTATIONAL ISOMERS OF WITTIG INTERMEDIATES - STRUCTURES AND RELATIVE ENERGIES
[J].
BESTMANN, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
BESTMANN, HJ
;
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
;
DOWNEY, WG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
DOWNEY, WG
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1980,
(20)
:978
-980
[4]
SIMULTANEOUS ANALYSIS OF 2V2, 2V5, AND V2+V5 VIBRATION-ROTATION BANDS OF CH3BR
[J].
BETRENCOURTSTIRNEMANN, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
BETRENCOURTSTIRNEMANN, C
;
GRANER, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
GRANER, G
;
JENNINGS, DE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
JENNINGS, DE
;
BLASS, WE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
UNIV TENNESSEE,DEPT PHYS & ASTRON,MOLEC SPECTROSCOPY LAB,KNOXVILLE,TN 37916
BLASS, WE
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1978,
69
(02)
:179
-198
[5]
ABINITIO CALCULATION OF HARMONIC FORCE-FIELDS AND VIBRATIONAL-SPECTRA FOR THE FLUOROPHOSPHINES PH N F3-N (N = 0-3)
[J].
BREIDUNG, J
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
BREIDUNG, J
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
BERG UNIV GESAMTHSCH WUPPERTAL,D-5600 WUPPERTAL 1,FED REP GER
THIEL, W
.
JOURNAL OF PHYSICAL CHEMISTRY,
1988,
92
(20)
:5597
-5602
[6]
BURGER H, COMMUNICATION
[7]
Califano S., 1976, VIBRATIONAL STATES
[8]
ANALYSIS OF THE FOURIER-TRANSFORM SPECTRUM OF PF5 AROUND 946 CM-1
[J].
DANA, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
DANA, V
;
BORDE, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
BORDE, J
;
HENRY, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
HENRY, L
;
VALENTIN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 13,CNRS,PHYS LASERS LAB 282,F-93430 VILLETANEUSE,FRANCE
VALENTIN, A
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1985,
114
(01)
:42
-48
[9]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) 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,
1971,
55
(02)
:716
-+
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
[J].
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
:3654
-3665
←
1
2
3
4
5
6
→