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OVERTONE SPECTRAL INVESTIGATION OF SUBSTITUENT-INDUCED BOND-LENGTH CHANGES IN GAS-PHASE FLUORINATED BENZENES AND THEIR CORRELATION WITH ABINITIO STO-3G AND 4-21G CALCULATIONS
被引:50
作者
:
GOUGH, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
GOUGH, KM
[
1
]
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[
1
]
机构
:
[1]
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1984年
/ 106卷
/ 10期
关键词
:
D O I
:
10.1021/ja00322a010
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2781 / 2787
页数:7
相关论文
共 29 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[2]
STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY ABINITIO COMPUTATION
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
BOGGS, JE
PANG, F
论文数:
0
引用数:
0
h-index:
0
PANG, F
PULAY, P
论文数:
0
引用数:
0
h-index:
0
PULAY, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 344
-
353
[3]
Coulson CA, 1939, PROC R SOC LON SER-A, V169, P0413, DOI 10.1098/rspa.1939.0006
[4]
FISHER RA, 1948, STATISTICAL TABLES B, P46
[5]
CH STRETCHING OVERTONE SPECTRA OF NITROBENZENE AND ITS DEUTERATED DERIVATIVES - ASSIGNMENT OF THE ORTHO CH
GOUGH, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
GOUGH, KM
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(20)
: 3804
-
3805
[6]
THE CH-STRETCHING OVERTONE SPECTRA OF NITRO-SUBSTITUTED AND HALO-SUBSTITUTED BENZENES - A LOCAL-MODE INVESTIGATION OF SUBSTITUENT EFFECTS
GOUGH, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
GOUGH, KM
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(18)
: 3433
-
3441
[7]
THERMODYNAMIC PROPERTIES OF FLUORINE-COMPOUNDS .25. VIBRATIONAL-SPECTRA AND CALCULATED THERMODYNAMIC PROPERTIES OF TETRAFLUOROBENZENES
GREEN, JHS
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
GREEN, JHS
HARRISON, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
HARRISON, DJ
[J].
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
1976,
32
(05)
: 1185
-
1193
[8]
DISCRETE EXCITATION OF NONEQUIVALENT CH OSCILLATORS - LOCAL MODE ANALYSIS OF HIGH-ENERGY OVERTONE SPECTRA OF ALKANES
GREENLAY, WRA
论文数:
0
引用数:
0
h-index:
0
GREENLAY, WRA
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
HENRY, BR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
: 82
-
91
[9]
EXPERIMENTAL MANIFESTATIONS OF LOCAL-MODE DESCRIPTION OF HIGH-ENERGY POLYATOMIC OVERTONE SPECTRA
HAYWARD, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HAYWARD, RJ
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[J].
CHEMICAL PHYSICS,
1976,
12
(04)
: 387
-
396
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
←
1
2
3
→
共 29 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[2]
STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY ABINITIO COMPUTATION
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
BOGGS, JE
PANG, F
论文数:
0
引用数:
0
h-index:
0
PANG, F
PULAY, P
论文数:
0
引用数:
0
h-index:
0
PULAY, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 344
-
353
[3]
Coulson CA, 1939, PROC R SOC LON SER-A, V169, P0413, DOI 10.1098/rspa.1939.0006
[4]
FISHER RA, 1948, STATISTICAL TABLES B, P46
[5]
CH STRETCHING OVERTONE SPECTRA OF NITROBENZENE AND ITS DEUTERATED DERIVATIVES - ASSIGNMENT OF THE ORTHO CH
GOUGH, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
GOUGH, KM
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(20)
: 3804
-
3805
[6]
THE CH-STRETCHING OVERTONE SPECTRA OF NITRO-SUBSTITUTED AND HALO-SUBSTITUTED BENZENES - A LOCAL-MODE INVESTIGATION OF SUBSTITUENT EFFECTS
GOUGH, KM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
GOUGH, KM
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(18)
: 3433
-
3441
[7]
THERMODYNAMIC PROPERTIES OF FLUORINE-COMPOUNDS .25. VIBRATIONAL-SPECTRA AND CALCULATED THERMODYNAMIC PROPERTIES OF TETRAFLUOROBENZENES
GREEN, JHS
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
GREEN, JHS
HARRISON, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STANDARDS,TEDDINGTON TW11 OLW,MIDDLESEX,ENGLAND
HARRISON, DJ
[J].
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
1976,
32
(05)
: 1185
-
1193
[8]
DISCRETE EXCITATION OF NONEQUIVALENT CH OSCILLATORS - LOCAL MODE ANALYSIS OF HIGH-ENERGY OVERTONE SPECTRA OF ALKANES
GREENLAY, WRA
论文数:
0
引用数:
0
h-index:
0
GREENLAY, WRA
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
HENRY, BR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
: 82
-
91
[9]
EXPERIMENTAL MANIFESTATIONS OF LOCAL-MODE DESCRIPTION OF HIGH-ENERGY POLYATOMIC OVERTONE SPECTRA
HAYWARD, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HAYWARD, RJ
HENRY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
UNIV MANITOBA,DEPT CHEM,WINNIPEG R3T 2N2,MANITOBA,CANADA
HENRY, BR
[J].
CHEMICAL PHYSICS,
1976,
12
(04)
: 387
-
396
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
←
1
2
3
→