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INTERMOLECULAR POTENTIALS FOR AMMONIA BASED ON SCF-MO CALCULATIONS
被引:78
作者
:
HINCHLIFFE, A
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
HINCHLIFFE, A
BOUNDS, DG
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
BOUNDS, DG
KLEIN, ML
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
KLEIN, ML
MCDONALD, IR
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
MCDONALD, IR
RIGHINI, R
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
RIGHINI, R
机构
:
[1]
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
[2]
UNIV CAMBRIDGE,DEPT PHYS CHEM,CAMBRIDGE CB2 1EP,ENGLAND
[3]
UNIV FLORENCE,IST CHIM FIS,I-50121 FLORENCE,ITALY
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1981年
/ 74卷
/ 02期
关键词
:
D O I
:
10.1063/1.441228
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:1211 / 1216
页数:6
相关论文
共 21 条
[1]
INTERMOLECULAR FORCES IN SIMPLE SYSTEMS
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
AHLRICHS, R
;
PENCO, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
PENCO, R
;
SCOLES, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
SCOLES, G
.
CHEMICAL PHYSICS,
1977,
19
(02)
:119
-130
[2]
RAMAN SPECTRA OF MOLECULAR-CRYSTALS - AMMONIA AND 3-DEUTERO-AMMONIA
[J].
BINBREK, OS
论文数:
0
引用数:
0
h-index:
0
BINBREK, OS
;
ANDERSON, A
论文数:
0
引用数:
0
h-index:
0
ANDERSON, A
.
CHEMICAL PHYSICS LETTERS,
1972,
15
(03)
:421
-+
[3]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
;
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
.
MOLECULAR PHYSICS,
1970,
19
(04)
:553
-&
[4]
THE STARK EFFECT OF THE AMMONIA INVERSION SPECTRUM
[J].
COLES, DK
论文数:
0
引用数:
0
h-index:
0
COLES, DK
;
GOOD, WE
论文数:
0
引用数:
0
h-index:
0
GOOD, WE
;
BRAGG, JK
论文数:
0
引用数:
0
h-index:
0
BRAGG, JK
;
SHARBAUGH, AH
论文数:
0
引用数:
0
h-index:
0
SHARBAUGH, AH
.
PHYSICAL REVIEW,
1951,
82
(06)
:877
-878
[5]
PHONON-DISPERSION CURVES AND PHONON LIFETIMES IN CRYSTALLINE AMMONIA
[J].
DELLAVALLE, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
DELLAVALLE, RG
;
FRACASSI, PF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
FRACASSI, PF
;
RIGHINI, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
RIGHINI, R
;
CALIFANO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
CALIFANO, S
;
WALMSLEY, SH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
WALMSLEY, SH
.
CHEMICAL PHYSICS,
1979,
44
(02)
:189
-196
[6]
SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF
[J].
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
DILL, JD
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
ALLEN, LC
;
TOPP, WC
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
TOPP, WC
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(25)
:7220
-7226
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:716
-+
[8]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
:3958
-&
[9]
INTERMOLECULAR POTENTIAL FOR (NH3)2
[J].
DUQUETTE, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
DUQUETTE, G
;
ELLIS, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
ELLIS, TH
;
SCOLES, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
SCOLES, G
;
WATTS, RO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
WATTS, RO
;
KLEIN, ML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
KLEIN, ML
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(06)
:2544
-2549
[10]
DYMOND JH, 1969, VIRIAL COEFFICIENTS
←
1
2
3
→
共 21 条
[1]
INTERMOLECULAR FORCES IN SIMPLE SYSTEMS
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
AHLRICHS, R
;
PENCO, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
PENCO, R
;
SCOLES, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
SCOLES, G
.
CHEMICAL PHYSICS,
1977,
19
(02)
:119
-130
[2]
RAMAN SPECTRA OF MOLECULAR-CRYSTALS - AMMONIA AND 3-DEUTERO-AMMONIA
[J].
BINBREK, OS
论文数:
0
引用数:
0
h-index:
0
BINBREK, OS
;
ANDERSON, A
论文数:
0
引用数:
0
h-index:
0
ANDERSON, A
.
CHEMICAL PHYSICS LETTERS,
1972,
15
(03)
:421
-+
[3]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
;
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
.
MOLECULAR PHYSICS,
1970,
19
(04)
:553
-&
[4]
THE STARK EFFECT OF THE AMMONIA INVERSION SPECTRUM
[J].
COLES, DK
论文数:
0
引用数:
0
h-index:
0
COLES, DK
;
GOOD, WE
论文数:
0
引用数:
0
h-index:
0
GOOD, WE
;
BRAGG, JK
论文数:
0
引用数:
0
h-index:
0
BRAGG, JK
;
SHARBAUGH, AH
论文数:
0
引用数:
0
h-index:
0
SHARBAUGH, AH
.
PHYSICAL REVIEW,
1951,
82
(06)
:877
-878
[5]
PHONON-DISPERSION CURVES AND PHONON LIFETIMES IN CRYSTALLINE AMMONIA
[J].
DELLAVALLE, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
DELLAVALLE, RG
;
FRACASSI, PF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
FRACASSI, PF
;
RIGHINI, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
RIGHINI, R
;
CALIFANO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
CALIFANO, S
;
WALMSLEY, SH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
UNIV LONDON UNIV COLL,DEPT CHEM,LONDON WC1H 0AJ,ENGLAND
WALMSLEY, SH
.
CHEMICAL PHYSICS,
1979,
44
(02)
:189
-196
[6]
SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF
[J].
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
DILL, JD
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
ALLEN, LC
;
TOPP, WC
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
TOPP, WC
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(25)
:7220
-7226
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:716
-+
[8]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
:3958
-&
[9]
INTERMOLECULAR POTENTIAL FOR (NH3)2
[J].
DUQUETTE, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
DUQUETTE, G
;
ELLIS, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
ELLIS, TH
;
SCOLES, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
SCOLES, G
;
WATTS, RO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
WATTS, RO
;
KLEIN, ML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
UNIV WATERLOO,DEPT PHYS,WATERLOO N2L 3G1,ONTARIO,CANADA
KLEIN, ML
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(06)
:2544
-2549
[10]
DYMOND JH, 1969, VIRIAL COEFFICIENTS
←
1
2
3
→