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THEORETICAL-ANALYSIS OF KINETIC ISOTOPE EFFECTS - THE SECONDARY DEUTERIUM EFFECTS IN THE ADDITION OF .CH3 TO ETHYLENE
被引:25
作者
:
论文数:
引用数:
h-index:
机构:
CANADELL, E
[
1
]
POBLET, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,BARCELONA,SPAIN
POBLET, JM
[
1
]
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,BARCELONA,SPAIN
OLIVELLA, S
[
1
]
机构
:
[1]
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,BARCELONA,SPAIN
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1983年
/ 87卷
/ 03期
关键词
:
D O I
:
10.1021/j100226a012
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:424 / 429
页数:6
相关论文
共 32 条
[1]
BIGELEISEN J, 1958, ADV CHEM PHYS, V1, P15
[2]
GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1302
-
1306
[3]
GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1307
-
1311
[4]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1294
-
1301
[5]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[6]
UNRESTRICTED OPEN-SHELL CALCULATIONS BY MINDO-3 - GEOMETRIES AND ELECTRONIC-STRUCTURE OF RADICALS
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
机构:
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
BISCHOF, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6844
-
6849
[7]
GROUND-STATES OF MOLECULES .51. MNDO (MODIFIED NEGLECT OF DIATOMIC OVERLAP) CALCULATIONS OF KINETIC ISOTOPE EFFECTS
BROWN, SB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
BROWN, SB
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
DEWAR, MJS
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
FORD, GP
NELSON, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
NELSON, DJ
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
RZEPA, HS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(25)
: 7832
-
7836
[8]
THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FORD, GP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
: 8343
-
8344
[9]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[10]
GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FORD, GP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(06)
: 1685
-
1691
←
1
2
3
4
→
共 32 条
[1]
BIGELEISEN J, 1958, ADV CHEM PHYS, V1, P15
[2]
GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1302
-
1306
[3]
GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1307
-
1311
[4]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1294
-
1301
[5]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[6]
UNRESTRICTED OPEN-SHELL CALCULATIONS BY MINDO-3 - GEOMETRIES AND ELECTRONIC-STRUCTURE OF RADICALS
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
机构:
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
BISCHOF, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6844
-
6849
[7]
GROUND-STATES OF MOLECULES .51. MNDO (MODIFIED NEGLECT OF DIATOMIC OVERLAP) CALCULATIONS OF KINETIC ISOTOPE EFFECTS
BROWN, SB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
BROWN, SB
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
DEWAR, MJS
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
FORD, GP
NELSON, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
NELSON, DJ
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
RZEPA, HS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(25)
: 7832
-
7836
[8]
THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FORD, GP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
: 8343
-
8344
[9]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[10]
GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FORD, GP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(06)
: 1685
-
1691
←
1
2
3
4
→