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ABINITIO CALCULATION OF BRONSTED ACIDITIES
被引:58
作者
:
SIGGEL, MRF
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,DEPT CHEM,CORVALLIS,OR 97331
SIGGEL, MRF
THOMAS, TD
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,DEPT CHEM,CORVALLIS,OR 97331
THOMAS, TD
SAETHRE, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,DEPT CHEM,CORVALLIS,OR 97331
SAETHRE, LJ
机构
:
[1]
OREGON STATE UNIV,DEPT CHEM,CORVALLIS,OR 97331
[2]
UNIV TROMSO,INST MATH & PHYS SCI,DEPT CHEM,N-9001 TROMSO,NORWAY
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1988年
/ 110卷
/ 01期
关键词
:
D O I
:
10.1021/ja00209a014
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:91 / 96
页数:6
相关论文
共 15 条
[1]
Bartmess J. E., 1979, GAS PHASE ION CHEM, V2, P87
[2]
SCALE OF ACIDITIES IN THE GAS-PHASE FROM METHANOL TO PHENOL
BARTMESS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BARTMESS, JE
SCOTT, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
SCOTT, JA
MCIVER, RT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
MCIVER, RT
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(20)
: 6046
-
6056
[3]
EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES
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
ANDRADE, JG
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
ANDRADE, JG
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5609
-
5612
[4]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[5]
RELATIVE GAS-PHASE ACIDITIES OF THE ALKANES
DEPUY, CH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DEPUY, CH
BIERBAUM, VM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
BIERBAUM, VM
DAMRAUER, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DAMRAUER, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(14)
: 4051
-
4053
[6]
ABINITIO STUDY OF STRUCTURES AND BINDING-ENERGIES FOR ANION WATER COMPLEXES
GAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
GAO, J
GARNER, DS
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
GARNER, DS
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(16)
: 4784
-
4790
[7]
THEORETICAL-STUDIES OF THE REACTIONS XHN-]XHN-1-+H+ AND XHN-1-+SIH4-][SIH4XHN-1]-
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
GORDON, MS
DAVIS, LP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DAVIS, LP
BURGGRAF, LW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
BURGGRAF, LW
DAMRAUER, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DAMRAUER, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(25)
: 7889
-
7893
[8]
HEHRE WJ, 1986, AB INITIO MOL ORBITA, P314
[9]
SUBSTITUENT EFFECTS ON NEUTRAL AND IONIZED-C=C AND C=O DOUBLE-BONDS AND THEIR IMPLICATIONS FOR THE STABILITY ORDER OF KETO ENOL TAUTOMERS
HEINRICH, N
论文数:
0
引用数:
0
h-index:
0
HEINRICH, N
KOCH, W
论文数:
0
引用数:
0
h-index:
0
KOCH, W
FRENKING, G
论文数:
0
引用数:
0
h-index:
0
FRENKING, G
SCHWARZ, H
论文数:
0
引用数:
0
h-index:
0
SCHWARZ, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(04)
: 593
-
600
[10]
HEATS OF FORMATION OF THE IONIC AND NEUTRAL ENOLS OF ACETALDEHYDE AND ACETONE
HOLMES, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
HOLMES, JL
LOSSING, FP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
LOSSING, FP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(09)
: 2648
-
2649
←
1
2
→
共 15 条
[1]
Bartmess J. E., 1979, GAS PHASE ION CHEM, V2, P87
[2]
SCALE OF ACIDITIES IN THE GAS-PHASE FROM METHANOL TO PHENOL
BARTMESS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BARTMESS, JE
SCOTT, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
SCOTT, JA
MCIVER, RT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
MCIVER, RT
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(20)
: 6046
-
6056
[3]
EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES
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
ANDRADE, JG
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
ANDRADE, JG
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5609
-
5612
[4]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[5]
RELATIVE GAS-PHASE ACIDITIES OF THE ALKANES
DEPUY, CH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DEPUY, CH
BIERBAUM, VM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
BIERBAUM, VM
DAMRAUER, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DAMRAUER, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(14)
: 4051
-
4053
[6]
ABINITIO STUDY OF STRUCTURES AND BINDING-ENERGIES FOR ANION WATER COMPLEXES
GAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
GAO, J
GARNER, DS
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
GARNER, DS
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(16)
: 4784
-
4790
[7]
THEORETICAL-STUDIES OF THE REACTIONS XHN-]XHN-1-+H+ AND XHN-1-+SIH4-][SIH4XHN-1]-
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
GORDON, MS
DAVIS, LP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DAVIS, LP
BURGGRAF, LW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
BURGGRAF, LW
DAMRAUER, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,DEPT CHEM,DENVER,CO 80202
DAMRAUER, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(25)
: 7889
-
7893
[8]
HEHRE WJ, 1986, AB INITIO MOL ORBITA, P314
[9]
SUBSTITUENT EFFECTS ON NEUTRAL AND IONIZED-C=C AND C=O DOUBLE-BONDS AND THEIR IMPLICATIONS FOR THE STABILITY ORDER OF KETO ENOL TAUTOMERS
HEINRICH, N
论文数:
0
引用数:
0
h-index:
0
HEINRICH, N
KOCH, W
论文数:
0
引用数:
0
h-index:
0
KOCH, W
FRENKING, G
论文数:
0
引用数:
0
h-index:
0
FRENKING, G
SCHWARZ, H
论文数:
0
引用数:
0
h-index:
0
SCHWARZ, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(04)
: 593
-
600
[10]
HEATS OF FORMATION OF THE IONIC AND NEUTRAL ENOLS OF ACETALDEHYDE AND ACETONE
HOLMES, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
HOLMES, JL
LOSSING, FP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
LOSSING, FP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(09)
: 2648
-
2649
←
1
2
→