-
1
-
-
0029250745
-
-
M. Gazichi, H. Szymanowski, J. Tyczkowski, L. Malinovsky, J. Schalko, and W. Fallmann, Thin Solid Films 256, 31 (1995).
-
(1995)
Thin Solid Films
, vol.256
, pp. 31
-
-
Gazichi, M.1
Szymanowski, H.2
Tyczkowski, J.3
Malinovsky, L.4
Schalko, J.5
Fallmann, W.6
-
4
-
-
0035891022
-
-
P. Venezuela, G. M. Dalpian, J. R. da silva Antonio, and A. Fazzio, Phys. Rev. B 64, 193202 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 193202
-
-
Venezuela, P.1
Dalpian, G.M.2
Da Silva Antonio, J.R.3
Fazzio, A.4
-
6
-
-
4243861260
-
-
G. Abbate, V. Barone, F. Lelj, E. Laconis, and N. Russo, Surf. Sci. 152/153, 690 (1985).
-
(1985)
Surf. Sci.
, vol.152-153
, pp. 690
-
-
Abbate, G.1
Barone, V.2
Lelj, F.3
Laconis, E.4
Russo, N.5
-
7
-
-
0035891335
-
-
S.-D. Li, Z.-G. Zhao, X.-F. Zhao, H.-S. Wu, and Z.-H. Jin, Phys. Rev. B 64, 195312 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 195312
-
-
Li, S.-D.1
Zhao, Z.-G.2
Zhao, X.-F.3
Wu, H.-S.4
Jin, Z.-H.5
-
8
-
-
0012357351
-
-
A. Benzair, B. Bouhafs, B. Khelifa, C. Mathieu, and H. Aourag, Phys. Lett. A 282, 299 (2001).
-
(2001)
Phys. Lett. A
, vol.282
, pp. 299
-
-
Benzair, A.1
Bouhafs, B.2
Khelifa, B.3
Mathieu, C.4
Aourag, H.5
-
12
-
-
0037045170
-
-
L. Sari, K. A. Peterson, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 117, 10008 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 10008
-
-
Sari, L.1
Peterson, K.A.2
Yamaguchi, Y.3
Schaefer, H.F.4
-
15
-
-
0031673645
-
-
X. Cangshan, T. R. Taylor, G. R. Burton, and D. M. Neumark, J. Chem. Phys. 108, 1395 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1395
-
-
Cangshan, X.1
Taylor, T.R.2
Burton, G.R.3
Neumark, D.M.4
-
18
-
-
0001358256
-
-
C. C. Arnold, C. Xu, G. R. Burton, and D. M. Neumark, J. Chem. Phys. 102, 6982 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 6982
-
-
Arnold, C.C.1
Xu, C.2
Burton, G.R.3
Neumark, D.M.4
-
19
-
-
0001627758
-
-
J. Drowart, G. D. Maria, A. J. H. Boerboom, and M. G. Inghram, J. Chem. Phys. 30, 308 (1959).
-
(1959)
J. Chem. Phys.
, vol.30
, pp. 308
-
-
Drowart, J.1
Maria, G.D.2
Boerboom, A.J.H.3
Inghram, M.G.4
-
23
-
-
33646912362
-
-
D. L. Michalopoulos, M. E. Geusic, P. R. R. Langridge-Smith, and R. E. Smalley, J. Chem. Phys. 80, 3556 (1984).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3556
-
-
Michalopoulos, D.L.1
Geusic, M.E.2
Langridge-Smith, P.R.R.3
Smalley, R.E.4
-
24
-
-
4043178268
-
-
P. F. Bernath, S. A. Rogers, L. C. O'Brien, C. R. Brazier, and A. D. McLean, Phys. Rev. Lett. 60, 197 (1988).
-
(1988)
Phys. Rev. Lett.
, vol.60
, pp. 197
-
-
Bernath, P.F.1
Rogers, S.A.2
O'Brien, L.C.3
Brazier, C.R.4
McLean, A.D.5
-
25
-
-
0002674380
-
-
J. Cernicharo, C. A. Gottlieb, M. Guelin, P. Thaddeus, and M. Vrtilek, Astrophys. J. Lett. 341, 25 (1989).
-
(1989)
Astrophys. J. Lett.
, vol.341
, pp. 25
-
-
Cernicharo, J.1
Gottlieb, C.A.2
Guelin, M.3
Thaddeus, P.4
Vrtilek, M.5
-
35
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
40
-
-
0004142379
-
Approximate atomic functions II
-
Department of Chemistry Report, University of Alberta, Edmonton, Alberta, Canada
-
S. Huzinaga, Approximate Atomic Functions II, Department of Chemistry Report, University of Alberta, Edmonton, Alberta, Canada, 1971.
-
(1971)
-
-
Huzinaga, S.1
-
41
-
-
0035826034
-
-
L. Sari, J. M. Gonzales, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 114, 4472 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4472
-
-
Sari, L.1
Gonzales, J.M.2
Yamaguchi, Y.3
Schaefer, H.F.4
-
43
-
-
0242538350
-
-
note
-
Extensible Computational Chemistry Environment Basis Set Database, Version 1/29/01, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352. http://www.emsl.pnl.gov:2080/forms/basisform.html
-
-
-
-
44
-
-
0242538351
-
-
(personal communication)
-
K. A. Peterson (personal communication).
-
-
-
Peterson, K.A.1
-
46
-
-
85102989523
-
-
(Wiley, West Sussex, England)
-
T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (Wiley, West Sussex, England, 2000).
-
(2000)
Molecular Electronic-Structure Theory
-
-
Helgaker, T.1
Jørgensen, P.2
Olsen, J.3
-
50
-
-
0001685342
-
-
edited by H. F. Schaefer (Plenum, New York)
-
P. Pulay, in Modern Theoretical Chemistry, edited by H. F. Schaefer (Plenum, New York, 1977), Vol. 4, pp. 153-185.
-
(1977)
Modern Theoretical Chemistry
, vol.4
, pp. 153-185
-
-
Pulay, P.1
-
51
-
-
0003418034
-
-
(Oxford University Press, New York)
-
Y. Yamaguchi, Y. Osamura, J. D. Goddard, and H. F. Schaefer, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (Oxford University Press, New York, 1994).
-
(1994)
A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory
-
-
Yamaguchi, Y.1
Osamura, Y.2
Goddard, J.D.3
Schaefer, H.F.4
-
52
-
-
0242623149
-
-
computer code PSI, 2.0.8, PSITECH, Inc., Watkinsville, GA
-
C. L. Janssen, E. T. Seidl, G. E. Scuseria et al., computer code PSI, 2.0.8, PSITECH, Inc., Watkinsville, GA, 1994.
-
(1994)
-
-
Janssen, C.L.1
Seidl, E.T.2
Scuseria, G.E.3
-
53
-
-
0242454705
-
-
Computer code ACES II, Quantum Theory Project, University of Florida. Integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor)
-
J. F. Stanton, J. Gauss, J. D. Watts, et al., Computer code ACES II, Quantum Theory Project, University of Florida. Integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor).
-
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
-
54
-
-
25544447054
-
-
(NSRDA, Washington, D.C.)
-
C. E. Moore, Atomic Energy Levels (NSRDA, Washington, D.C., 1971), Vols. I and II.
-
(1971)
Atomic Energy Levels
, vol.1-2
-
-
Moore, C.E.1
-
55
-
-
0001935181
-
-
T. J. Lee, J. E. Rice, G. E. Scuseria, and H. F. Schaefer, Theor. Chim. Acta 75, 81 (1989).
-
(1989)
Theor. Chim. Acta
, vol.75
, pp. 81
-
-
Lee, T.J.1
Rice, J.E.2
Scuseria, G.E.3
Schaefer, H.F.4
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