-
4
-
-
0005687076
-
-
Tokmakoff, A.; Payer, M. D.; Dlott, D. D.} Phys Chem 1993, 97,1901.
-
(1993)
} Phys Chem
, vol.97
, pp. 1901
-
-
Tokmakoff, A.1
Payer, M.D.2
Dlott, D.D.3
-
6
-
-
0000410016
-
-
1995,99,9102.
-
Hong, X.; Chen, S.; Dlott, D. D. J Phys Chem 1995,99,9102.
-
J Phys Chem
-
-
Hong, X.1
Chen, S.2
Dlott, D.D.3
-
7
-
-
0030568455
-
-
1996,100,5794.
-
Tarver, C. M.; Chidester, S. K.; Nichols III, A. L.} Phys Chem 1996,100,5794.
-
} Phys Chem
-
-
Tarver, C.M.1
Chidester, S.K.2
Nichols III, A.L.3
-
8
-
-
0029754217
-
-
1996,418,257.
-
Sharma, J.; Coffey, C. S.; Ramaswamy, A. L.; Armstrong, R. W. Mat Res Soc Symp Proc 1996,418,257.
-
J.; Coffey, C. S.; Ramaswamy, A. L.; Armstrong, R. W.
-
-
Sharma1
-
9
-
-
36549095790
-
-
1990,68,979.
-
Armstrong, R. W.; Coffey, C. S.; DeVost, V. F.; Elban, VV. L. } Appl Phys 1990,68,979.
-
} Appl Phys
-
-
Armstrong, R.W.1
Coffey, C.S.2
Devost, V.F.3
Elban, V.V.L.4
-
10
-
-
0027151248
-
-
1993,296,227.
-
Armstrong, R. W. Ammon, H. L.; Du, Z. Y.; Elban, W. L.; Zhang, X. J. Mat Res Soc Symp Proc 1993,296,227.
-
J. Mat Res Soc Symp Proc
-
-
Armstrong, R.W.1
Ammon, H.L.2
Du, Z.Y.3
Elban, W.L.4
Zhang, X.5
-
11
-
-
0029752126
-
-
1996,418,277.
-
White, C. T.; Barrett,J. J. C.; Mintmire, J. W.; Elert, M. L.; Robertson, D. H. Mat Res Soc Symp Proc 1996,418,277.
-
J. C.; Mintmire, J. W.; Elert, M. L.; Robertson, D. H.
-
-
White, C.T.1
Barrett, J.2
-
12
-
-
0020310635
-
-
1982,30,2111.
-
Armstrong, R. W.; Coffey, C. S.; Elban, W. L. Acta Metall 1982,30,2111.
-
Acta Metall
-
-
Armstrong, R.W.1
Coffey, C.S.2
Elban, W.L.3
-
15
-
-
34250765435
-
-
1983,99,66.
-
Hauser, H. M.; Field, J. E.; Mohan, V. K. Chem Phys Lett 1983,99,66.
-
Chem Phys Lett
-
-
Hauser, H.M.1
Field, J.E.2
Mohan, V.K.3
-
16
-
-
0000790110
-
-
1994,49,14859.
-
Mintmire, J. W.; Robertson, D. H.; White, C. T. Phys Rev B 1994,49,14859.
-
Phys Rev B
-
-
Mintmire, J.W.1
Robertson, D.H.2
White, C.T.3
-
17
-
-
33847540182
-
-
Politzer, P.; Alper, H. E. In Computational Chemistry, Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific: Singapore, to appear; Vol. 4.
-
In Computational Chemistry, Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific: Singapore, to Appear
, vol.4
-
-
Politzer, P.1
Alper, H.E.2
-
18
-
-
0018031750
-
-
1978, 5,1041.
-
Karo, A. M; Hardy, J. R.; Walker, F. E. Acta Astronaut 1978, 5,1041.
-
Acta Astronaut
-
-
Karo, A.M.1
Hardy, J.R.2
Walker, F.E.3
-
19
-
-
0027260031
-
-
1993,296,161.
-
Sinkovits, R. S.; Phillips, L.; Oran, E. S.; Boris, J. P. Mat Res Soc Symp Proc 1993,296,161.
-
Mat Res Soc Symp Proc
-
-
Sinkovits, R.S.1
Phillips, L.2
Oran, E.S.3
Boris, J.P.4
-
21
-
-
0000729984
-
-
Lambrakos, S. G.; Peyrard, M.; Oran, E. S.; Boris, J. P. Phys Rev B 1989, 39,993.
-
(1989)
Phys Rev B
, vol.39
, pp. 993
-
-
Lambrakos, S.G.1
Peyrard, M.2
Oran, E.S.3
Boris, J.P.4
-
22
-
-
0027269261
-
-
Mat Res Soc Symp Proc 1993,296,155.
-
Phillips, L. Mat Res Soc Symp Proc 1993,296,155.
-
-
-
Phillips, L.1
-
23
-
-
0030737066
-
-
1997,101, 798.
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J Phys Chem B 1997,101, 798.
-
J Phys Chem B
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
24
-
-
0032484847
-
-
1998,102,948.
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J Phys Chem B 1998,102,948.
-
Thompson, D. L. J Phys Chem B
-
-
Sorescu, D.C.1
Rice, B.M.2
-
25
-
-
0000611714
-
-
1998,102,6692.
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J Phys Chem B 1998,102,6692.
-
Thompson, D. L. J Phys Chem B
-
-
Sorescu, D.C.1
Rice, B.M.2
-
26
-
-
0000764721
-
-
1998,102,8386.
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J Phys Chem A 1998,102,8386.
-
J Phys Chem a
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
27
-
-
0001114876
-
-
1999,103,989.
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J Phys Chem A 1999,103,989.
-
J Phys Chem a
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
28
-
-
0000678384
-
-
1999,103, 6783.
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J Phys Chem B 1999,103, 6783.
-
J Phys Chem B
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
29
-
-
0005275001
-
-
1999,103, 705.
-
Smith, G. D.; Bharadwaj, R. K.; Bedrov, D.; Ayyagari, C. J Phys Chem B 1999,103, 705.
-
J Phys Chem B
-
-
Smith, G.D.1
Bharadwaj, R.K.2
Bedrov, D.3
Ayyagari, C.4
-
31
-
-
0000960015
-
-
1998,58, 15847.
-
Jacobsen, J.; Cooper, B. H.; Sethna, J. P. Phys Rev B 1998,58, 15847.
-
Phys Rev B
-
-
Jacobsen, J.1
Cooper, B.H.2
Sethna, J.P.3
-
32
-
-
33847564852
-
-
1997, p. 255.
-
Seminario, J. M. In Computational Chemistry and Chemical Engineering; Cisneros, G.; Cogordan, J. A.; Castro, M.; Wang, C., Eds.; World Sientific: Singapore, 1997, p. 255.
-
In Computational Chemistry and Chemical Engineering; Cisneros, G.; Cogordan, J. A.; Castro, M.; Wang, C., Eds.; World Sientific: Singapore
-
-
Seminario, J.M.1
-
33
-
-
0001349177
-
-
1998,108,4739.
-
Liu, Y.-P.; Kirn, K.; Berne, B. J.; Friesner, R. A.; Rick, S. W. J Chem Phys 1998,108,4739.
-
J Chem Phys
-
-
Liu, Y.-P.1
Kirn, K.2
Berne, B.J.3
Friesner, R.A.4
Rick, S.W.5
-
35
-
-
0000861692
-
-
1999,103,7322.
-
Bukowski, R.; Szalevvicz, K.; Chabalowski, C. F. J Phys Chem A 1999,103,7322.
-
J Phys Chem a
-
-
Bukowski, R.1
Szalevvicz, K.2
Chabalowski, C.F.3
-
38
-
-
0345491105
-
-
1988,37,785.
-
Lee, C.; Yang, W; Parr, R. G. Phys Rev B 1988,37,785.
-
Phys Rev B
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
39
-
-
23244460838
-
-
1992, 46, 6671.
-
Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys Rev B 1992, 46, 6671.
-
Phys Rev B
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
40
-
-
5944261746
-
-
Phys Rev B 1986,33,8822.
-
Perdew, J. P. Phys Rev B 1986,33,8822.
-
-
-
Perdew, J.P.1
-
41
-
-
0004133516
-
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrezewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dappich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochter-ski, J.; Petersson, G.; Aayala, P. Y; Cui, Q.; Morokuma, K.; Malick, D. K.; Rubuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.5; Gaussian: Pittsburgh, 1998.
-
(1998)
Gaussian 98, Revision A.5; Gaussian: Pittsburgh
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrezewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dappich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochter-ski, J.25
Petersson, G.26
Aayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rubuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
44
-
-
33847557288
-
-
1979,35,402.
-
Krebs, B.; Mandt, J.; Cobbledick, R. E.; Small, R. W. H. Acta Cryst B 1979,35,402.
-
Acta Cryst B
-
-
Krebs, B.1
Mandt, J.2
Cobbledick, R.E.3
Small, R.W.H.4
-
45
-
-
0003260086
-
-
1985, 3,187.
-
Lloyd, S. A.; Unstead, M. E.; Lin, M. C. J Energ Mater 1985, 3,187.
-
J Energ Mater
-
-
Lloyd, S.A.1
Unstead, M.E.2
Lin, M.C.3
-
49
-
-
33847539289
-
-
1994; Ch. 8.
-
Murray, J. S.; Politzer, P. In Quantitative Treatments of Solute/Solvent Interactions; Murray, J. S.; Politzer, P., Eds.; Elsevier: Amsterdam, 1994; Ch. 8.
-
In Quantitative Treatments of Solute/Solvent Interactions; Murray, J. S.; Politzer, P., Eds.; Elsevier: Amsterdam
-
-
Murray, J.S.1
Politzer, P.2
-
50
-
-
0002252623
-
-
1994,307,55.
-
Murray, J. S.; Brinck, T.; Lane, P.; Paulsen, K.; Politzer, P. J Mol Struct (Theochem) 1994,307,55.
-
J Mol Struct (Theochem)
-
-
Murray, J.S.1
Brinck, T.2
Lane, P.3
Paulsen, K.4
Politzer, P.5
-
52
-
-
33845281510
-
-
1987,109,7968.
-
Bader, R. F. W.; Carroll, M. T.; Cheeseman, J. R.; Chang, C. J Am Chem Soc 1987,109,7968.
-
J Am Chem Soc
-
-
Bader, R.F.W.1
Carroll, M.T.2
Cheeseman, J.R.3
Chang, C.4
-
54
-
-
84985524357
-
-
1987, 26,1175.
-
Seiler, P.; Weisman, G. R.; Glendening, E. D.; Weinhold, F.; Johnson, V. B.; Dunitz, J. D. Angew Chem Int Ed Engl 1987, 26,1175.
-
Angew Chem Int Ed Engl
-
-
Seiler, P.1
Weisman, G.R.2
Glendening, E.D.3
Weinhold, F.4
Johnson, V.B.5
Dunitz, J.D.6
-
56
-
-
33847533227
-
-
1994,98,13,755.
-
Wozniak, K.; He, K; Klinowski, J.; Jones, W.; Grech, E. J Phys Chem 1994,98,13,755.
-
J Phys Chem
-
-
Wozniak, K.1
He, K.2
Klinowski, J.3
Jones, W.4
Grech, E.5
-
59
-
-
3643123303
-
-
1988,89,3662.
-
Szalewicz, K.; Cole, S. J.; Kolos, W.; Bartlett, R. J. J Chem Phys 1988,89,3662.
-
J Chem Phys
-
-
Szalewicz, K.1
Cole, S.J.2
Kolos, W.3
Bartlett, R.J.4
-
60
-
-
33847544947
-
-
1980,36,575.
-
Filhol, A.; Bravic, G.; Rey-Lafon, M.; Thomas, M. Acta Cryst B 1980,36,575.
-
Acta Cryst B
-
-
Filhol, A.1
Bravic, G.2
Rey-Lafon, M.3
Thomas, M.4
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