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SLOW CONVERGENCE OF THE MOLLER-PLESSET PERTURBATION-SERIES - THE DISSOCIATION-ENERGY OF HYDROGEN-CYANIDE AND THE ELECTRON-AFFINITY OF THE CYANO RADICAL
被引:147
作者
:
NOBES, RH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
NOBES, RH
[
1
]
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
POPLE, JA
[
1
]
RADOM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
RADOM, L
[
1
]
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
HANDY, NC
[
1
]
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
KNOWLES, PJ
[
1
]
机构
:
[1]
UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
来源
:
CHEMICAL PHYSICS LETTERS
|
1987年
/ 138卷
/ 05期
关键词
:
D O I
:
10.1016/0009-2614(87)80545-6
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:481 / 485
页数:5
相关论文
共 21 条
[1]
THE EVALUATION OF MOLECULAR ELECTRON-AFFINITIES
BAKER, J
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
BAKER, J
NOBES, RH
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
NOBES, RH
论文数:
引用数:
h-index:
机构:
RADOM, L
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(03)
: 349
-
358
[2]
PHOTOIONIZATION OF HCN - ELECTRON AFFINITY AND HEAT OF FORMATION OF CN
BERKOWIT.J
论文数:
0
引用数:
0
h-index:
0
机构:
Argonne National Laboratory, Argonne
BERKOWIT.J
CHUPKA, WA
论文数:
0
引用数:
0
h-index:
0
机构:
Argonne National Laboratory, Argonne
CHUPKA, WA
WALTER, TA
论文数:
0
引用数:
0
h-index:
0
机构:
Argonne National Laboratory, Argonne
WALTER, TA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(04)
: 1497
-
&
[3]
BINKLEY JS, GAUSSIAN 82
[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]
Davidson E., 1974, WORLD QUANTUM CHEM, P17
[6]
ABINITIO DETERMINATION OF THE PROTON AFFINITIES OF SMALL NEUTRAL AND ANIONIC MOLECULES
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
DEFREES, DJ
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
MCLEAN, AD
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(03)
: 321
-
333
[7]
DECEPTIVE CONVERGENCE IN MOLLER-PLESSET PERTURBATION ENERGIES
GILL, PMW
论文数:
0
引用数:
0
h-index:
0
GILL, PMW
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
[J].
CHEMICAL PHYSICS LETTERS,
1986,
132
(01)
: 16
-
22
[8]
ON THE CONVERGENCE OF THE MOLLER-PLESSET PERTURBATION-SERIES
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
SOMASUNDRAM, K
论文数:
0
引用数:
0
h-index:
0
SOMASUNDRAM, K
[J].
THEORETICA CHIMICA ACTA,
1985,
68
(01):
: 87
-
100
[9]
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
-
+
[10]
A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
[J].
CHEMICAL PHYSICS LETTERS,
1984,
111
(4-5)
: 315
-
321
←
1
2
3
→
共 21 条
[1]
THE EVALUATION OF MOLECULAR ELECTRON-AFFINITIES
BAKER, J
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
BAKER, J
NOBES, RH
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2601, AUSTRALIA
NOBES, RH
论文数:
引用数:
h-index:
机构:
RADOM, L
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(03)
: 349
-
358
[2]
PHOTOIONIZATION OF HCN - ELECTRON AFFINITY AND HEAT OF FORMATION OF CN
BERKOWIT.J
论文数:
0
引用数:
0
h-index:
0
机构:
Argonne National Laboratory, Argonne
BERKOWIT.J
CHUPKA, WA
论文数:
0
引用数:
0
h-index:
0
机构:
Argonne National Laboratory, Argonne
CHUPKA, WA
WALTER, TA
论文数:
0
引用数:
0
h-index:
0
机构:
Argonne National Laboratory, Argonne
WALTER, TA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(04)
: 1497
-
&
[3]
BINKLEY JS, GAUSSIAN 82
[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]
Davidson E., 1974, WORLD QUANTUM CHEM, P17
[6]
ABINITIO DETERMINATION OF THE PROTON AFFINITIES OF SMALL NEUTRAL AND ANIONIC MOLECULES
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
DEFREES, DJ
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
IBM CORP, ALMADEN RES CTR, SAN JOSE, CA 95120 USA
MCLEAN, AD
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(03)
: 321
-
333
[7]
DECEPTIVE CONVERGENCE IN MOLLER-PLESSET PERTURBATION ENERGIES
GILL, PMW
论文数:
0
引用数:
0
h-index:
0
GILL, PMW
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
[J].
CHEMICAL PHYSICS LETTERS,
1986,
132
(01)
: 16
-
22
[8]
ON THE CONVERGENCE OF THE MOLLER-PLESSET PERTURBATION-SERIES
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
SOMASUNDRAM, K
论文数:
0
引用数:
0
h-index:
0
SOMASUNDRAM, K
[J].
THEORETICA CHIMICA ACTA,
1985,
68
(01):
: 87
-
100
[9]
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
-
+
[10]
A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
[J].
CHEMICAL PHYSICS LETTERS,
1984,
111
(4-5)
: 315
-
321
←
1
2
3
→