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THEORETICAL-STUDY OF B2H-5(+), B2H-6(+), AND B2H6
被引:50
作者
:
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
[
1
]
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[
1
]
机构
:
[1]
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1988年
/ 89卷
/ 08期
关键词
:
D O I
:
10.1063/1.455656
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:4875 / 4879
页数:5
相关论文
共 19 条
[1]
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
[2]
THEORETICAL THERMOCHEMISTRY .4. IONIZATION ENERGIES AND PROTON AFFINITIES OF AHN SPECIES (A = LI TO B AND NA TO AL) - GEOMETRIES AND ENTHALPIES OF FORMATION OF THEIR CATIONS
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, MAT SCI PROGRAM, ARGONNE, IL 60439 USA
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, MAT SCI PROGRAM, ARGONNE, IL 60439 USA
POPLE, JA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1988,
92
(04)
: 894
-
899
[3]
A THEORETICAL-STUDY OF THE ENERGIES OF BHN COMPOUNDS
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
89
(01)
: 614
-
615
[4]
THEORETICAL-STUDY OF STRUCTURES AND ENERGIES OF ACETYLENE, ETHYLENE, AND VINYL RADICAL AND CATION
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(12)
: 7405
-
7409
[5]
BINARY ASSOCIATION COMPLEXES OF LIH, BEH2, AND BH3 - RELATIVE ISOMER STABILITIES AND BARRIER HEIGHTS FOR THEIR INTERCONVERSION - ENERGY BARRIERS IN THE DIMERIZATION REACTIONS
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
DEFREES, DJ
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
RAGHAVACHARI, K
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
SCHLEGEL, HB
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
SCHLEYER, PV
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1987,
91
(07)
: 1857
-
1864
[6]
ELECTRONIC-STRUCTURE OF B2H5+ ION
DUKE, BJ
论文数:
0
引用数:
0
h-index:
0
DUKE, BJ
STEPHENS, DG
论文数:
0
引用数:
0
h-index:
0
STEPHENS, DG
[J].
THEORETICA CHIMICA ACTA,
1972,
26
(04):
: 381
-
&
[7]
FEHLNER TP, 1986, MOL STRUCT ENERGETIC, V1, P149
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
: 3265
-
3269
[9]
CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 4244
-
4245
[10]
ABINITIO STUDY OF ADDITIVITY .2.
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, GIBBS CHEM LAB, CAMBRIDGE, MA 02138 USA
MCKEE, ML
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, GIBBS CHEM LAB, CAMBRIDGE, MA 02138 USA
LIPSCOMB, WN
[J].
INORGANIC CHEMISTRY,
1985,
24
(05)
: 762
-
764
←
1
2
→
共 19 条
[1]
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
[2]
THEORETICAL THERMOCHEMISTRY .4. IONIZATION ENERGIES AND PROTON AFFINITIES OF AHN SPECIES (A = LI TO B AND NA TO AL) - GEOMETRIES AND ENTHALPIES OF FORMATION OF THEIR CATIONS
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, MAT SCI PROGRAM, ARGONNE, IL 60439 USA
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, MAT SCI PROGRAM, ARGONNE, IL 60439 USA
POPLE, JA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1988,
92
(04)
: 894
-
899
[3]
A THEORETICAL-STUDY OF THE ENERGIES OF BHN COMPOUNDS
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
89
(01)
: 614
-
615
[4]
THEORETICAL-STUDY OF STRUCTURES AND ENERGIES OF ACETYLENE, ETHYLENE, AND VINYL RADICAL AND CATION
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(12)
: 7405
-
7409
[5]
BINARY ASSOCIATION COMPLEXES OF LIH, BEH2, AND BH3 - RELATIVE ISOMER STABILITIES AND BARRIER HEIGHTS FOR THEIR INTERCONVERSION - ENERGY BARRIERS IN THE DIMERIZATION REACTIONS
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
DEFREES, DJ
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
RAGHAVACHARI, K
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
SCHLEGEL, HB
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
SCHLEYER, PV
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1987,
91
(07)
: 1857
-
1864
[6]
ELECTRONIC-STRUCTURE OF B2H5+ ION
DUKE, BJ
论文数:
0
引用数:
0
h-index:
0
DUKE, BJ
STEPHENS, DG
论文数:
0
引用数:
0
h-index:
0
STEPHENS, DG
[J].
THEORETICA CHIMICA ACTA,
1972,
26
(04):
: 381
-
&
[7]
FEHLNER TP, 1986, MOL STRUCT ENERGETIC, V1, P149
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
: 3265
-
3269
[9]
CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 4244
-
4245
[10]
ABINITIO STUDY OF ADDITIVITY .2.
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, GIBBS CHEM LAB, CAMBRIDGE, MA 02138 USA
MCKEE, ML
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, GIBBS CHEM LAB, CAMBRIDGE, MA 02138 USA
LIPSCOMB, WN
[J].
INORGANIC CHEMISTRY,
1985,
24
(05)
: 762
-
764
←
1
2
→