-
4
-
-
0029253475
-
-
A.T. Bell, L.E. Manzer, N.Y. Chen, V.W. Weekman, L.L. Hegedus and C.J. Pereira, Chemical Engineering Progress Feb. (1995) 26.
-
(1995)
Chemical Engineering Progress
, vol.FEB
, pp. 26
-
-
Bell, A.T.1
Manzer, L.E.2
Chen, N.Y.3
Weekman, V.W.4
Hegedus, L.L.5
Pereira, C.J.6
-
17
-
-
7744222204
-
-
J.F. Haw, J.B. Nicholas, T. Xu, L.W. Beck and D.B. Ferguson, Acc. Chem. Res. 29 (1996) 259.
-
(1996)
Acc. Chem. Res.
, vol.29
, pp. 259
-
-
Haw, J.F.1
Nicholas, J.B.2
Xu, T.3
Beck, L.W.4
Ferguson, D.B.5
-
19
-
-
0008681815
-
-
eds. P.A. Jacobs and R.A. van Santen Elsevier, Amsterdam
-
B.W.H. van Beest, A.J.M. de Man, R.A. Jackson, C.R.A. Catlow and R.A. van Santen, in: Zeolites: Facts, Figures, Future, eds. P.A. Jacobs and R.A. van Santen (Elsevier, Amsterdam, 1989).
-
(1989)
Zeolites: Facts, Figures, Future
-
-
Van Beest, B.W.H.1
De Man, A.J.M.2
Jackson, R.A.3
Catlow, C.R.A.4
Van Santen, R.A.5
-
22
-
-
0001303801
-
-
D. Demontis, G.B. Suffritti, A. Alberti, S. Quartieri, S. Fois and A. Gamba, Gazz. Chim. Ital. 116 (1986) 459.
-
(1986)
Gazz. Chim. Ital.
, vol.116
, pp. 459
-
-
Demontis, D.1
Suffritti, G.B.2
Alberti, A.3
Quartieri, S.4
Fois, S.5
Gamba, A.6
-
23
-
-
0001023934
-
-
P. Demontis, G.B. Suffritti, S. Quartieri, E.S. Fois and A. Gamba, Zeolites 7 (1987) 522.
-
(1987)
Zeolites
, vol.7
, pp. 522
-
-
Demontis, P.1
Suffritti, G.B.2
Quartieri, S.3
Fois, E.S.4
Gamba, A.5
-
26
-
-
0007857021
-
-
L. Leherte, G.C. Lie, K.N. Swamy, E. Clementi, E.G. Derouane and J.M. Andre, Chem. Phys. Lett. 145 (1988) 237.
-
(1988)
Chem. Phys. Lett.
, vol.145
, pp. 237
-
-
Leherte, L.1
Lie, G.C.2
Swamy, K.N.3
Clementi, E.4
Derouane, E.G.5
Andre, J.M.6
-
27
-
-
0008681815
-
-
eds. P.A. Jacobs and R.A. van Santen Elsevier, Amsterdam
-
L. Leherte, D.P. Vercauteren, E.G. Derouane, G.C. Lie, E. Clementi and J.-M. Andre, in: Zeolites: Facts, Figures, Future, eds. P.A. Jacobs and R.A. van Santen (Elsevier, Amsterdam, 1989).
-
(1989)
Zeolites: Facts, Figures, Future
-
-
Leherte, L.1
Vercauteren, D.P.2
Derouane, E.G.3
Lie, G.C.4
Clementi, E.5
Andre, J.-M.6
-
28
-
-
0001180573
-
-
A.K. Nowak, C.J.J. den Ouden, S.D. Pickett, B. Smit, A.K. Cheetham, M.F.M. Post and J.M. Thomas, J. Phys. Chem. 95 (1991) 848.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 848
-
-
Nowak, A.K.1
Den Ouden, C.J.J.2
Pickett, S.D.3
Smit, B.4
Cheetham, A.K.5
Post, M.F.M.6
Thomas, J.M.7
-
29
-
-
2342642320
-
-
eds. D. Olson and A. Bisio Elsevier, Amsterdam
-
H. Stach, H. Thamm, J. Jänchen, K. Fiedler and W. Schirmer, in: Proc. 6th Int. Zeolite Conf., eds. D. Olson and A. Bisio (Elsevier, Amsterdam, 1983).
-
(1983)
Proc. 6th Int. Zeolite Conf.
-
-
Stach, H.1
Thamm, H.2
Jänchen, J.3
Fiedler, K.4
Schirmer, W.5
-
34
-
-
84873055189
-
-
Wiley, New York
-
W.J. Hehre, L. Radom, P. Schleyer and J.A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.3
Pople, J.A.4
-
41
-
-
3342999042
-
-
D.A. Dixon, J. Andzelm, G. Fitzgerald, E. Wimmer and P. Jasien, J. Phys. Chem. 95 (1991) 9197.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 9197
-
-
Dixon, D.A.1
Andzelm, J.2
Fitzgerald, G.3
Wimmer, E.4
Jasien, P.5
-
43
-
-
2342539265
-
-
in press
-
J. Andzelm, D.T. Nguyen, R. Eggenberger, D.R. Salahub and A.T. Hagler, Comput. Chem., in press.
-
Comput. Chem.
-
-
Andzelm, J.1
Nguyen, D.T.2
Eggenberger, R.3
Salahub, D.R.4
Hagler, A.T.5
-
45
-
-
0001645699
-
-
C. Sosa, J. Andzelm, B.C. Elkin, E. Wimmer, K.D. Dobbs and D.A. Dixon, J. Phys. Chem. 96 (1992) 6630.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6630
-
-
Sosa, C.1
Andzelm, J.2
Elkin, B.C.3
Wimmer, E.4
Dobbs, K.D.5
Dixon, D.A.6
-
47
-
-
0342345976
-
-
ed. R. Bisseling Elsevier, Amsterdam
-
M.F. Guest, E. Apra, D.E. Bernholdt, H.A. Fruchtl, R.J. Harrison, R.A. Kendall, R.A. Kutteh, X. Long, J.B. Nicholas, J.A. Nichols, H.L. Taylor, A.T. Wong, G.I. Fann, R.J. Littlefield and J. Nieplocha, in: Future Generation Computer Systems, ed. R. Bisseling (Elsevier, Amsterdam, 1996).
-
(1996)
Future Generation Computer Systems
-
-
Guest, M.F.1
Apra, E.2
Bernholdt, D.E.3
Fruchtl, H.A.4
Harrison, R.J.5
Kendall, R.A.6
Kutteh, R.A.7
Long, X.8
Nicholas, J.B.9
Nichols, J.A.10
Taylor, H.L.11
Wong, A.T.12
Fann, G.I.13
Littlefield, R.J.14
Nieplocha, J.15
-
48
-
-
2342565302
-
-
Proc. 1994 Simulation Multiconference, ed. A.M. Tentner Society for Computer Simulation, San Diego, CA
-
M.F. Guest, E. Apra, D.E. Bernholdt, H.A. Fruchtl, R.J. Harrison, R.A. Kendall, R.A. Kutteh, J.B. Nicholas, J.A. Nichols, M.S. Stave, A.T. Wong, R.J. Littlefield and J. Nieplocha, in: High Performance Computing 1995, Grand Challenges in Computer Simulation, Proc. 1994 Simulation Multiconference, ed. A.M. Tentner (Society for Computer Simulation, San Diego, CA, 1995).
-
(1995)
High Performance Computing 1995, Grand Challenges in Computer Simulation
-
-
Guest, M.F.1
Apra, E.2
Bernholdt, D.E.3
Fruchtl, H.A.4
Harrison, R.J.5
Kendall, R.A.6
Kutteh, R.A.7
Nicholas, J.B.8
Nichols, J.A.9
Stave, M.S.10
Wong, A.T.11
Littlefield, R.J.12
Nieplocha, J.13
-
49
-
-
27144517490
-
-
High Performance Computing: Issues, Methods, and Applications, eds. J. Dongarra, L. Gradinetti, G. Joubert and J. Kowalik Elsevier, Amsterdam
-
M.F. Guest, E. Apra, D.E. Bernholdt, H.A. Fruchtl, R.J. Harrison, R.A. Kendall, R.A. Kutteh, X. Long, J.B. Nicholas, J.A. Nichols, H.L. Taylor, A.T. Wong, R.J. Littlefield, G.I. Fann and J. Nieplocha, in: High Performance Computing: Issues, Methods, and Applications, Advances in Parallel Computing, Vol. 10, eds. J. Dongarra, L. Gradinetti, G. Joubert and J. Kowalik (Elsevier, Amsterdam, 1995).
-
(1995)
Advances in Parallel Computing
, vol.10
-
-
Guest, M.F.1
Apra, E.2
Bernholdt, D.E.3
Fruchtl, H.A.4
Harrison, R.J.5
Kendall, R.A.6
Kutteh, R.A.7
Long, X.8
Nicholas, J.B.9
Nichols, J.A.10
Taylor, H.L.11
Wong, A.T.12
Littlefield, R.J.13
Fann, G.I.14
Nieplocha, J.15
-
50
-
-
14344268225
-
-
eds. J. Wasnieski, J. Dongarra and K. Madsen Springer, Berlin
-
M.F. Guest, E. Apra, D.E. Bernholdt, H.A. Fruchtl, R.J. Harrison, R.A. Kendall, R.A. Kutteh, X. Long, J.B. Nicholas, J.A. Nichols, H.L. Taylor, A.T. Wong, G.I. Fann, R.J. Littlefield and J. Nieplocha, in: Applied Parallel Computing. Computations in Physics, Chemistry, and Engineering Science, eds. J. Wasnieski, J. Dongarra and K. Madsen (Springer, Berlin, 1996).
-
(1996)
Applied Parallel Computing. Computations in Physics, Chemistry, and Engineering Science
-
-
Guest, M.F.1
Apra, E.2
Bernholdt, D.E.3
Fruchtl, H.A.4
Harrison, R.J.5
Kendall, R.A.6
Kutteh, R.A.7
Long, X.8
Nicholas, J.B.9
Nichols, J.A.10
Taylor, H.L.11
Wong, A.T.12
Fann, G.I.13
Littlefield, R.J.14
Nieplocha, J.15
-
67
-
-
0003199916
-
The Self-Consistent Field for Molecules and Solids
-
McGraw-Hill, New York
-
J.C. Slater, The Self-Consistent Field for Molecules and Solids, Quantum Theory of Molecules and Solids, Vol. 4 (McGraw-Hill, New York, 1974).
-
(1974)
Quantum Theory of Molecules and Solids
, vol.4
-
-
Slater, J.C.1
-
74
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94, Revision B1 (Gaussian, Inc., Pittsburgh, 1995).
-
(1995)
GAUSSIAN 94, Revision B1
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
82
-
-
33751391992
-
-
J.B. Nicholas, R.E. Winans, R.J. Harrison, L.E. Iton, L.A. Curtiss and A.J. Hopfinger, J. Phys. Chem. 96 (1992) 10247.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10247
-
-
Nicholas, J.B.1
Winans, R.E.2
Harrison, R.J.3
Iton, L.E.4
Curtiss, L.A.5
Hopfinger, A.J.6
-
86
-
-
0001201284
-
-
A. Almenningen, O. Bastiansen, V. Ewing, K. Hedberg and M. Tretteberg, Acta Chem. Scand. 17 (1963) 2455.
-
(1963)
Acta Chem. Scand.
, vol.17
, pp. 2455
-
-
Almenningen, A.1
Bastiansen, O.2
Ewing, V.3
Hedberg, K.4
Tretteberg, M.5
-
96
-
-
0003845930
-
-
Publication 577, University of Indiana
-
R. Dovesi, C. Pisani, C. Roetti, M. Causa and V.R. Saunders, CRYSTAL, Quantum Chemistry Programs Exchange, Publication 577, University of Indiana (1988).
-
(1988)
CRYSTAL, Quantum Chemistry Programs Exchange
-
-
Dovesi, R.1
Pisani, C.2
Roetti, C.3
Causa, M.4
Saunders, V.R.5
-
115
-
-
0001469745
-
-
J.F. Haw, M.B. Hall, A.E. Alvarado-Swaisgood, E.J. Munson, Z. Lin, L.W. Beck and T. Howard, J. Am. Chem. Soc. 116 (1994) 7308.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 7308
-
-
Haw, J.F.1
Hall, M.B.2
Alvarado-Swaisgood, A.E.3
Munson, E.J.4
Lin, Z.5
Beck, L.W.6
Howard, T.7
-
116
-
-
0003668313
-
-
Elsevier, Amsterdam
-
K. Tanabe, M. Misono, Y. Ono and H. Hattori, New Solid Acids and Bases (Elsevier, Amsterdam, 1989).
-
(1989)
New Solid Acids and Bases
-
-
Tanabe, K.1
Misono, M.2
Ono, Y.3
Hattori, H.4
-
118
-
-
0000115406
-
-
J.B. Nicholas, J.F. Haw, L.W. Beck, T.R. Krawietz and D.B. Ferguson, J. Am. Chem. Soc. 117 (1996) 12350.
-
(1996)
J. Am. Chem. Soc.
, vol.117
, pp. 12350
-
-
Nicholas, J.B.1
Haw, J.F.2
Beck, L.W.3
Krawietz, T.R.4
Ferguson, D.B.5
-
124
-
-
23544442932
-
-
R. Ahlrichs, M. Bär, M. Häser, H. Horn and C. Kölmel, Chem. Phys. Lett. 162 (1989) 366.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 366
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
125
-
-
0000770899
-
-
M. Häser, R. Ahlrichs, H.P. Baron, P. Weis and H. Horn, Theor. Chim. Acta. 83 (1992) 455.
-
(1992)
Theor. Chim. Acta.
, vol.83
, pp. 455
-
-
Häser, M.1
Ahlrichs, R.2
Baron, H.P.3
Weis, P.4
Horn, H.5
-
130
-
-
0024621362
-
-
J.F. Haw, B.R. Richardson, I.S. Oshiro, N.L. Lazo and J.A. Speed, J. Am. Chem. Soc. 111 (1989) 2052.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 2052
-
-
Haw, J.F.1
Richardson, B.R.2
Oshiro, I.S.3
Lazo, N.L.4
Speed, J.A.5
|