-
1
-
-
0037171737
-
-
(a) Dixit, S.; Crain, J.; Poon, W. C. K.; Finney, J. L.; Solper, A. K. Nature 2002, 416, 829.
-
(2002)
Nature
, vol.416
, pp. 829
-
-
Dixit, S.1
Crain, J.2
Poon, W.C.K.3
Finney, J.L.4
Solper, A.K.5
-
2
-
-
0037036022
-
-
(b) Honkawa, Y.; Inokuchi, Y.; Ohashi, K.; Nishi, N.; Sekiya, H. Chem. Phys. Lett. 2002, 358, 419.
-
(2002)
Chem. Phys. Lett.
, vol.358
, pp. 419
-
-
Honkawa, Y.1
Inokuchi, Y.2
Ohashi, K.3
Nishi, N.4
Sekiya, H.5
-
5
-
-
0035807659
-
-
(c) Choudhari, C.; Jiang, J. C.; Wu, C.-C.; Wang, X.; Chang, H.-C. J. Phys. Chem. A 2001, 105, 8906.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8906
-
-
Choudhari, C.1
Jiang, J.C.2
Wu, C.-C.3
Wang, X.4
Chang, H.-C.5
-
7
-
-
0037084199
-
-
(a) Zang, B.; Cai, Y.; Mu, X.; Lou, N.; Wang, X. Chem. Phys. 2002, 276, 277.
-
(2002)
Chem. Phys.
, vol.276
, pp. 277
-
-
Zang, B.1
Cai, Y.2
Mu, X.3
Lou, N.4
Wang, X.5
-
9
-
-
0036644375
-
-
(c) Majkut, A. O.; Mielke, Z.; Tokhadze, K. G. Chem. Phys. Lett. 2002, 280, 211.
-
(2002)
Chem. Phys. Lett.
, vol.280
, pp. 211
-
-
Majkut, A.O.1
Mielke, Z.2
Tokhadze, K.G.3
-
10
-
-
0037046749
-
-
(d) Ramaekers, R.; Dkhissi, A.; Adamowicz, L.; Maes, G. J. Phys. Chem. A 2002, 106, 4502.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 4502
-
-
Ramaekers, R.1
Dkhissi, A.2
Adamowicz, L.3
Maes, G.4
-
13
-
-
84946893847
-
-
(b) Miertus, S.; Scrocoo, E.; Tomasi, J. Chem. Phys. 1981, 55, 117.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117
-
-
Miertus, S.1
Scrocoo, E.2
Tomasi, J.3
-
16
-
-
0030862038
-
-
(b) Gruenloh, C. J.; Carney, J. R.; Arrington, C. A.; Zwier, T. S.; Fredricks, S. Y. Science 1997, 276, 1678.
-
(1997)
Science
, vol.276
, pp. 1678
-
-
Gruenloh, C.J.1
Carney, J.R.2
Arrington, C.A.3
Zwier, T.S.4
Fredricks, S.Y.5
-
17
-
-
0032558579
-
-
and references therein
-
(f) Gruenloh, C. J.; Carney, J. R.; Arrington, C. A.; Zwier, T. S.; Fredricks, S. Y. J. Chem. Phys. 1998, 109, 6601 and references therein.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6601
-
-
Gruenloh, C.J.1
Carney, J.R.2
Arrington, C.A.3
Zwier, T.S.4
Fredricks, S.Y.5
-
18
-
-
0001108871
-
-
Rablen, P. R.; Lockman, J. W.; Jorgensen, W. L. J. Phys. Chem. A 1998, 102, 3782.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 3782
-
-
Rablen, P.R.1
Lockman, J.W.2
Jorgensen, W.L.3
-
20
-
-
0034673475
-
-
Dkhissi, A.; Adamowicz, L.; Maes, G. J. Phys. Chem. A 2000, 104, 2113.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 2113
-
-
Dkhissi, A.1
Adamowicz, L.2
Maes, G.3
-
21
-
-
0000229832
-
-
and references therein
-
(a) Jacoby, C.; Roth, W.; Schmitt, M.; Janzen, C.; Spangenberg, D.; Kleinermanns, K. J. Phys. Chem. A 1998, 102, 4471 and references therein.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 4471
-
-
Jacoby, C.1
Roth, W.2
Schmitt, M.3
Janzen, C.4
Spangenberg, D.5
Kleinermanns, K.6
-
22
-
-
1842715295
-
-
(b) Roth, W.; Janzen, C.; Kleinermanns, K. J. Chem. Phys. 1999, 110, 9898.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 9898
-
-
Roth, W.1
Janzen, C.2
Kleinermanns, K.3
-
23
-
-
0034301048
-
-
and references therein
-
(a) Gadre, S. R.; Babu, K.; Rendell, A. P. J. Phys. Chem. A 2000, 104, 8976 and references therein.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 8976
-
-
Gadre, S.R.1
Babu, K.2
Rendell, A.P.3
-
27
-
-
0001143549
-
-
Lewell, X. Q.; Millier, I. H.; Field, M. J.; Morris, J. J.; Taylor, P. J. J. Chem. Soc., Faraday Trans. 1988, 84, 893.
-
(1988)
J. Chem. Soc., Faraday Trans.
, vol.84
, pp. 893
-
-
Lewell, X.Q.1
Millier, I.H.2
Field, M.J.3
Morris, J.J.4
Taylor, P.J.5
-
30
-
-
36449007867
-
-
(c) Ramelot, T. A.; Hu, C.-H.; Fowler, J. E.; Deleeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 700, 4347.
-
(1994)
J. Chem. Phys.
, vol.700
, pp. 4347
-
-
Ramelot, T.A.1
Hu, C.-H.2
Fowler, J.E.3
Deleeuw, B.J.4
Schaefer, H.F.5
-
31
-
-
0001710855
-
-
Wolfe, S.; Kim, C.; Yang, K.; Weinberg, N.; Shi, Z. J. Am. Chem. Soc. 1995, 117, 4240.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 4240
-
-
Wolfe, S.1
Kim, C.2
Yang, K.3
Weinberg, N.4
Shi, Z.5
-
33
-
-
0034506155
-
-
Robertson, E. G.; Hockridge, M. R.; Jelf, P. D.; Simon, J. P. J. Phys. Chem. A 2000, 104, 11714.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 11714
-
-
Robertson, E.G.1
Hockridge, M.R.2
Jelf, P.D.3
Simon, J.P.4
-
35
-
-
84962401198
-
-
Personal communications with T. S. Zwier and W, Roth, to whom we are thankful
-
Personal communications with T. S. Zwier and W, Roth, to whom we are thankful.
-
-
-
-
36
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian 94, Revision B.3: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A., Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.3
-
-
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
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
37
-
-
84893169025
-
-
(a) GAMESS: Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.: Windus, T. L.; Dupuis, M.; Montogomery, J. A. J. Comput. Chem. 1993, 14, 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montogomery, J.A.13
-
38
-
-
84962447310
-
-
(b) Granovsky, A. A. http://classic.chem.msu.su/gran/gamess/index.html.
-
-
-
Granovsky, A.A.1
-
40
-
-
0000277156
-
-
(a) Laasonen, K.; Parinello, M.; Car, R.; Lee, C.; Vanderbilt, D. Chem. Phys. Lett. 1993, 207, 208.
-
(1993)
Chem. Phys. Lett.
, vol.207
, pp. 208
-
-
Laasonen, K.1
Parinello, M.2
Car, R.3
Lee, C.4
Vanderbilt, D.5
-
41
-
-
0030079225
-
-
(b) Feyereisen, M. V.; Feller, D.; Dixon, D. A. J. Phys. Chem. 1996, 100, 2993.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2993
-
-
Feyereisen, M.V.1
Feller, D.2
Dixon, D.A.3
-
42
-
-
0031646406
-
-
(c) Millot, C.; Soetens, J. C.; Costa, M. T. C. M.; Hodges, M. P.; Stone, A. J. J. Phys. Chem. A 1998, 102, 754.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 754
-
-
Millot, C.1
Soetens, J.C.2
Costa, M.T.C.M.3
Hodges, M.P.4
Stone, A.J.5
-
44
-
-
33751157732
-
-
(b) Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Chem. Phys. 1994, 95, 11623.
-
(1994)
J. Chem. Phys.
, vol.95
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
45
-
-
1842665312
-
-
(c) Wang, J.; Eriksson, L. A.; Boyd, R. J.; Shi, Z.; Johnson, B. G. J. Phys. 1994, 98, 1844.
-
(1994)
J. Phys.
, vol.98
, pp. 1844
-
-
Wang, J.1
Eriksson, L.A.2
Boyd, R.J.3
Shi, Z.4
Johnson, B.G.5
-
46
-
-
0037187093
-
-
(a) Sundararajan, K.; Viswanathan, K. S.; Sankaran, K.; Kulkarni, A. D.; Gadre, S. R. J. Phys. Chem. A 2002, 106, 1504.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 1504
-
-
Sundararajan, K.1
Viswanathan, K.S.2
Sankaran, K.3
Kulkarni, A.D.4
Gadre, S.R.5
-
47
-
-
0036681407
-
-
(b) Sundararajan, K.; Viswanathan, K. S.; Kulkarni, A. D.; Gadre, S. R. J. Mol. Struct. 2002, 613, 209.
-
(2002)
J. Mol. Struct.
, vol.613
, pp. 209
-
-
Sundararajan, K.1
Viswanathan, K.S.2
Kulkarni, A.D.3
Gadre, S.R.4
-
48
-
-
0035936231
-
-
and references therein. Cf
-
Maheshwary, S.; Patel, N.; Sathyamurthy, N.; Kulkarni, A. D.; Gadre, S. R. J. Phys. Chem. A 2001, 105, 10525 and references therein. Cf. http://www-wales.ch.cam.ac.uk/~wales/CCD/anant-watcl.html, a Web site related to the latest ab initio investigations of water clusters.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 10525
-
-
Maheshwary, S.1
Patel, N.2
Sathyamurthy, N.3
Kulkarni, A.D.4
Gadre, S.R.5
-
49
-
-
0041461917
-
-
UNIVIS-2000, The molecular properties visualization package: Developed in the Theoretical Chemistry Group, Department of Chemistry, University of Pune, Pune, India, by Limaye and Gadre: Limaye, A. C.; Gadre, S. R. Curr. Sci. (India) 2001, 50, 1296.
-
(2001)
Curr. Sci. (India)
, vol.50
, pp. 1296
-
-
Limaye, A.C.1
Gadre, S.R.2
-
52
-
-
0034710137
-
-
(b) Wong, N.-B.; Cheung, Y.-S.; Wu, D. Y.; Ren, Y.; Wang, X.; Tian, A. M.; Li, W.-K. J. Mol. Struct. 2000, 507, 153.
-
(2000)
J. Mol. Struct.
, vol.507
, pp. 153
-
-
Wong, N.-B.1
Cheung, Y.-S.2
Wu, D.Y.3
Ren, Y.4
Wang, X.5
Tian, A.M.6
Li, W.-K.7
|