메뉴 건너뛰기
Journal of Chemical Physics
Volumn 115, Issue 7, 2001, Pages 2926-2935
The multi-coefficient correlated quantum mechanical calculations for structures, energies, and harmonic frequencies of HF and H2O dimers
(2)
Park, C Y
a
Kim, Y
a,a
a
Kyung Hee University
(
South Korea
)
Author keywords
[No Author keywords available]
Indexed keywords
DIMERS; DISSOCIATION; HARMONIC ANALYSIS; HYDROGEN BONDS; POTENTIAL ENERGY;
DISSOCIATION ENERGIES; POTENTIAL ENERGY SURFACES (PES);
QUANTUM THEORY;
EID
:
0035881108
PISSN
:
00219606
EISSN
:
None
Source Type
:
Journal
DOI
:
10.1063/1.1386416
Document Type
:
Article
Times cited : (
24
)
References (
57
)
1
0000347765
(1998)
J. Chem. Phys.
, vol.108
, pp. 10096
Klopper, W.
1
Quack, M.
2
Suhm, M.A.
3
2
36449006688
(1991)
J. Chem. Phys.
, vol.95
, pp. 28
Quack, M.
1
Suhm, M.A.
2
3
36449002026
(1995)
J. Chem. Phys.
, vol.103
, pp. 6051
Collins, C.L.
1
Morihashi, K.
2
Yamaguchi, Y.
3
Schaefer III, H.F.
4
4
0343897781
(1999)
Mol. Phys.
, vol.96
, pp. 559
Klopper, W.
1
Luethi, H.P.
2
5
36449009864
(1995)
J. Chem. Phys.
, vol.102
, pp. 310
Kim, J.
1
Lee, J.Y.
2
Lee, S.
3
Mhin, B.J.
4
Kim, K.S.
5
6
0009701070
(1995)
J. Chem. Phys.
, vol.102
, pp. 2032
Peterson, K.A.
1
Dunning T.H., Jr.
2
7
0347007668
(1992)
J. Chem. Phys.
, vol.96
, pp. 6104
Feller, D.
1
8
0000098578
(1999)
J. Chem. Phys.
, vol.111
, pp. 9157
Halkier, A.
1
Klopper, W.
2
Helgaker, T.
3
Jorgensen, P.
4
Taylor, P.R.
5
9
0000724478
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
Helgaker, T.
1
Klopper, W.
2
Koch, H.
3
Noga, J.
4
10
0000913618
(1999)
J. Phys. Chem.
, vol.103
, pp. 1640
Simon, S.
1
Duran, M.
2
Dannenberg, J.J.
3
11
33847599187
(1993)
J. Chem. Phys.
, vol.99
, pp. 403
Thomas, J.R.
1
DeLeeuw, B.J.
2
Vacek, G.
3
Crawford, T.D.
4
Yamaguchi, Y.
5
Schaefer III, H.F.
6
12
0000052876
(1999)
Mol. Phys.
, vol.96
, pp. 493
Tschumper, G.S.
1
Kelty, M.D.
2
Schaefer III, H.F.
3
13
0033165944
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 3073
Hobza, P.
1
Bludsky, O.
2
Suhai, S.
3
14
28244441336
(1996)
J. Chem. Phys.
, vol.104
, pp. 8821
Xantheas, S.S.
1
15
0000927464
(2000)
J. Chem. Phys.
, vol.112
, pp. 1125
Curtiss, L.A.
1
Raghavachari, K.
2
Redfern, P.C.
3
Pople, J.A.
4
16
0000720136
edited by K. K. Irikura and D. J. Frurip (American Chemical Society, Washington, DC)
(1998)
Computational Thermochemistry, ACS Symposium Series
, vol.677
, pp. 212-236
Martin, J.M.L.
1
17
36549094943
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
Pople, J.A.
1
Head-Gordon, M.
2
Fox, D.J.
3
Raghavachari, K.
4
Curtiss, L.A.
5
18
0000664876
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
Curtiss, L.A.
1
Jones, C.
2
Trucks, G.W.
3
Raghavachari, K.
4
Pople, J.A.
5
19
0041401966
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
Curtiss, L.A.
1
Raghavachari, K.
2
Trucks, G.W.
3
Pople, J.A.
4
20
0012154673
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764
Curtiss, L.A.
1
Raghavachari, K.
2
Redfern, P.C.
3
Rassolov, V.
4
Pople, J.A.
5
21
0001586585
(1999)
J. Chem. Phys.
, vol.110
, pp. 4703
Curtiss, L.A.
1
Redfern, P.C.
2
Raghavachari, K.
3
Rassolov, V.
4
Pople, J.A.
5
22
0001213712
(2000)
J. Chem. Phys.
, vol.112
, pp. 7374
Curtiss, L.A.
1
Raghavachari, K.
2
Redfern, P.C.
3
Pople, J.A.
4
23
0035147937
(2001)
J. Chem. Phys.
, vol.114
, pp. 108
Curtiss, L.A.
1
Redfern, P.C.
2
Raghavachari, K.
3
Pople, J.A.
4
24
0001360843
(1999)
J. Phys. Chem.
, vol.103
, pp. 5129
Fast, P.L.
1
Corchado, J.C.
2
Sanchez, M.L.
3
Truhlar, D.G.
4
25
0000237719
(1999)
J. Chem. Phys.
, vol.110
, pp. 11679
Fast, P.L.
1
Sanchez, M.L.
2
Corchado, J.C.
3
Truhlar, D.G.
4
26
0001317989
(1999)
Chem. Phys. Lett.
, vol.306
, pp. 407
Fast, P.L.
1
Sanchez, M.L.
2
Truhlar, D.G.
3
27
0001360843
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3139
Fast, P.L.
1
Corchado, J.C.
2
Sanchez, M.L.
3
Truhlar, D.G.
4
28
0034225915
(2000)
J. Phys. Chem.
, vol.104
, pp. 6111
Fast, P.L.
1
Truhlar, D.G.
2
29
0000732321
(2000)
J. Chem. Phys.
, vol.112
, pp. 3141
Rodgers, J.M.
1
Fast, P.L.
2
Truhlar, D.G.
3
30
0004042968
article 14
(1999)
Phys Chem Comm
, vol.1999
Tratz, C.M.
1
Fast, P.L.
2
Truhlar, D.G.
3
31
0004160780
University of Minnesota, Minneapolis, MN
(2000)
Multilevel-version 2.1.1
Rodgers, J.M.
1
Lynch, B.J.
2
Fast, P.L.
3
Chuang, Y.-Y.
4
Pu, J.
5
Truhlar, D.G.
6
32
84873055189
Wiley, New York
(1986)
Ab initio Molecular Orbital Theory
Hehre, W.J.
1
Radom, L.
2
Schleyer, P.V.P.
3
Pople, J.A.
4
33
33746614482
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
Dunning T.H., Jr.
1
34
0000956941
(1989)
J. Chem. Phys.
, vol.90
, pp. 7137
Truong, T.N.
1
Truhlar, D.G.
2
Baldridge, K.K.
3
Gordon, M.S.
4
Steckler, R.
5
35
33845376173
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 5412
Gordon, M.S.
1
Truhlar, D.G.
2
36
0004133516
Gaussian, Inc., Pittsburgh, PA
(1998)
Gaussian 98
Frisch, M.J.
1
Trucks, G.W.
2
Schlegel, H.B.
3
37
84986461296
(1995)
J. Comput. Chem.
, vol.16
, pp. 1315
Hobza, P.
1
Sponer, J.
2
Reschel, T.
3
38
0001188328
(1995)
J. Phys. Chem.
, vol.99
, pp. 10705
DelBene, J.E.
1
Person, W.B.
2
Szczepaniak, K.
3
39
0011656244
(1986)
J. Chem. Phys.
, vol.84
, pp. 590
Pine, A.S.
1
Howard, B.J.
2
40
0031285824
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 150
Halkier, A.
1
Koch, H.
2
Jurgensen, P.
3
Christiansen, O.
4
Nielsen, I.M.B.
5
Helgaker, T.
6
41
0034657974
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 2227
Klopper, W.
1
Van Duijneveldt-van de Rijdt, J.G.C.M.
2
Van Duijneveldt, F.B.
3
42
0041419041
(1980)
J. Chem. Phys.
, vol.72
, pp. 5062
Odutola, J.A.
1
Dyke, T.R.
2
43
36449008176
(1995)
J. Chem. Phys.
, vol.102
, pp. 3534
Astrand, P.O.
1
Karlstrom, G.
2
Engdahl, A.
3
Nelander, B.
4
44
36749116015
(1977)
J. Chem. Phys.
, vol.66
, pp. 4065
Fredin, L.
1
Nelander, B.
2
Ribbegard, G.
3
45
33751055376
(1978)
J. Chem. Phys.
, vol.69
, pp. 3870
Nelander, B.
1
46
0030079225
(1996)
J. Phys. Chem.
, vol.100
, pp. 2993
Feyereisen, M.W.
1
Feller, D.
2
Dixon, D.A.
3
47
0032221819
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 372
Hobza, P.
1
Havlas, Z.
2
48
0345811545
(1997)
J. Comput. Chem.
, vol.18
, pp. 1695
Maerker, C.
1
Schleyer, P.V.R.
2
Liedl, K.R.
3
Ha, T.-K.
4
Quack, M.
5
Suhm, M.A.
6
49
0003919080
Van Nostrand Reinhold, New York
(1979)
Constants of Diatomic Molecules
Huber, K.P.
1
Herzberg, G.
2
50
36549097173
(1984)
J. Chem. Phys.
, vol.81
, pp. 5417
Howard, B.J.
1
Dyke, T.R.
2
Klemperer, W.
3
51
36549101715
(1984)
J. Chem. Phys.
, vol.81
, pp. 2939
Pine, A.S.
1
Lafferty, W.J.
2
Howard, B.J.
3
52
0030247290
(1996)
J. Chem. Phys.
, vol.105
, pp. 4488
Anderson, D.T.
1
Davis, S.
2
Nesbitt, D.J.
3
53
0001595048
(1990)
Chem. Phys. Lett.
, vol.171
, pp. 517
Quack, M.
1
Suhm, M.A.
2
54
0001173971
(1998)
Mol. Phys.
, vol.94
, pp. 105
Klopper, W.
1
Quack, M.
2
Suhm, M.A.
3
55
0004103075
Ph. D. thesis (University of Georgia)
(1999)
Tschumper, G.S.
1
56
36749111449
(1979)
J. Chem. Phys.
, vol.71
, pp. 2703
Curtiss, L.A.
1
Mack, K.M.
2
Muenter, J.S.
3
57
0000769510
(1977)
J. Chem. Phys.
, vol.66
, pp. 498
Dyke, T.R.
1
Mack, K.M.
2
Muenter, J.S.
3
* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.