-
1
-
-
0034836311
-
-
Fenniri, H., Packiarajan, M., Vidale, K. L., Sherman, D. M., Hallenga, K., Wood, K. V., and Stowell, J. G. J. Am. Chem. Soc. 2001, 123, 3854-3855
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 3854-3855
-
-
Fenniri, H.1
Packiarajan, M.2
Vidale, K.L.3
Sherman, D.M.4
Hallenga, K.5
Wood, K.V.6
Stowell, J.G.7
-
2
-
-
0038525489
-
-
Kruse, P., Johnson, E. R., DiLabio, G. A., and Wolkow, R. A. Nano Lett. 2002, 2, 807-810
-
(2002)
Nano Lett.
, vol.2
, pp. 807-810
-
-
Kruse, P.1
Johnson, E.R.2
Dilabio, G.A.3
Wolkow, R.A.4
-
3
-
-
33644867031
-
-
Sheiko, S. S., Sun, F. C., Randall, A., Shirvanyants, D., Rubinstein, M., Lee, H., and Matyjaszewski, K. Nature 2006, 440, 191-194
-
(2006)
Nature
, vol.440
, pp. 191-194
-
-
Sheiko, S.S.1
Sun, F.C.2
Randall, A.3
Shirvanyants, D.4
Rubinstein, M.5
Lee, H.6
Matyjaszewski, K.7
-
4
-
-
10344259151
-
-
DiLabio, G. A., Piva, P. G., Kruse, P., and Wolkow, R. A. J. Am. Chem. Soc. 2004, 126, 16048-16050
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 16048-16050
-
-
Dilabio, G.A.1
Piva, P.G.2
Kruse, P.3
Wolkow, R.A.4
-
6
-
-
3042581965
-
-
Keinan, S., Ratner, M. A., and Marks, T. J. Chem. Phys. Lett. 2004, 392, 291-296
-
(2004)
Chem. Phys. Lett.
, vol.392
, pp. 291-296
-
-
Keinan, S.1
Ratner, M.A.2
Marks, T.J.3
-
12
-
-
84889963829
-
-
Matta, C. F. and Boyd, R. J., Eds. Wiley-VCH: New York
-
Matta, C. F. and Boyd, R. J. In The Quantum Theory of Atoms in Molecules; Matta, C. F. and Boyd, R. J., Eds.; Wiley-VCH: New York, 2007; pp 1 - 34.
-
(2007)
The Quantum Theory of Atoms in Molecules
, pp. 1-34
-
-
Matta, C.F.1
Boyd, R.J.2
-
14
-
-
0033613812
-
-
Word, J. M., Lovell, S. C., LaBean, T. H., Taylor, H. C., Zalis, M. E., Presley, B. K., Richardson, J. S., and Richardson, D. C. J. Mol. Biol. 1999, 285, 1711-1733
-
(1999)
J. Mol. Biol.
, vol.285
, pp. 1711-1733
-
-
Word, J.M.1
Lovell, S.C.2
Labean, T.H.3
Taylor, H.C.4
Zalis, M.E.5
Presley, B.K.6
Richardson, J.S.7
Richardson, D.C.8
-
15
-
-
34547592557
-
-
Davis, I. W., Leaver-Fay, A., Chen, V. B., Block, J. N., Kapral, G. J., Wang, X., Murray, L. W., Arendall III, W. B., Snoeyink, J., Richardson, J. S., and Richardson, D. C. Nucleic Acids Res. 2007, 35, W375-W383
-
(2007)
Nucleic Acids Res.
, vol.35
-
-
Davis, I.W.1
Leaver-Fay, A.2
Chen, V.B.3
Block, J.N.4
Kapral, G.J.5
Wang, X.6
Murray, L.W.7
Arendall Iii, W.B.8
Snoeyink, J.9
Richardson, J.S.10
Richardson, D.C.11
-
16
-
-
13044272912
-
-
Sobolev, V., Sorokine, A., Prilusky, J., Abola, E. E., and Edelman, M. Bioinformatics 1999, 15, 327-332
-
(1999)
Bioinformatics
, vol.15
, pp. 327-332
-
-
Sobolev, V.1
Sorokine, A.2
Prilusky, J.3
Abola, E.E.4
Edelman, M.5
-
18
-
-
22544446200
-
-
Alikhani, M. E., Fuster, F., and Silvi, B. Struct. Chem. 2005, 16, 203-210
-
(2005)
Struct. Chem.
, vol.16
, pp. 203-210
-
-
Alikhani, M.E.1
Fuster, F.2
Silvi, B.3
-
19
-
-
0023751431
-
-
Cramer III, R. D., Patterson, D. E., and Bunce, J. D. J. Am. Chem. Soc. 1988, 110, 5959-5967
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer Iii, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
21
-
-
0000757079
-
-
Yarkony, D. R., Ed. World Scientific: River Edge, NJ
-
Becke, A. D. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: River Edge, NJ, 1995; pp 1022 - 1046.
-
(1995)
Modern Electronic Structure Theory
, pp. 1022-1046
-
-
Becke, A.D.1
-
22
-
-
49449097052
-
-
Cohen, A. J., Mori-Sánchez, P., and Yang, W. Science. 2008, 321, 792-794
-
(2008)
Science.
, vol.321
, pp. 792-794
-
-
Cohen, A.J.1
Mori-Sánchez, P.2
Yang, W.3
-
23
-
-
0000425140
-
-
Zupan, A., Burke, K., Ernzerhof, M., and Perdew, J. P. J. Chem. Phys. 1997, 106, 10184-10193
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 10184-10193
-
-
Zupan, A.1
Burke, K.2
Ernzerhof, M.3
Perdew, J.P.4
-
25
-
-
0345491105
-
-
Lee, C., Yang, W., and Parr, R. G. Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
26
-
-
4944232303
-
-
Gibbs, G. V., Cox, D. F., and Rosso, K. M. J. Phys. Chem. A 2004, 108, 7643-7645
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 7643-7645
-
-
Gibbs, G.V.1
Cox, D.F.2
Rosso, K.M.3
-
29
-
-
15744375697
-
-
Gaussian, Inc., Wallingford, CT
-
Gaussian 03, Revision C.02: Frisch, M. J., et al. Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision C.02
-
-
Frisch, M.J.1
-
30
-
-
0035147937
-
-
Curtiss, L. A., Redfern, P. C., Raghavachari, K., and Pople, J. A. J. Chem. Phys. 2001, 114, 108-117
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 108-117
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
33
-
-
33744470857
-
-
Jurečka, P., Šponer, J., Černý, J., and Hobza, P. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 1985-1993
-
-
Jurečka, P.1
Šponer, J.2
Černý, J.3
Hobza, P.4
-
34
-
-
0003867643
-
-
University of Torino: Torino, Italy
-
Saunders, V. R., Dovesi, R., Roetti, C., Causá, M., Harrison, N. M., Orlando, R., and Zicovich-Wilson, C. M. CRYSTAL98 User-s Manual; University of Torino: Torino, Italy, 1998.
-
(1998)
CRYSTAL98 User-s Manual
-
-
Saunders, V.R.1
Dovesi, R.2
Roetti, C.3
Causá, M.4
Harrison, N.M.5
Orlando, R.6
Zicovich-Wilson, C.M.7
-
36
-
-
0002851019
-
-
Ziesche, P. and Eschrig, H., Eds. Akademie Verlag: Berlin
-
Perdew, J. P. In Electronic Structure of Solids; Ziesche, P. and Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991; 11.
-
(1991)
Electronic Structure of Solids
, pp. 11
-
-
Perdew, J.P.1
-
40
-
-
34248152648
-
-
Alguel, Y., Meng, C., Teran, W., Krell, T., Ramos, J. L., Gallegos, M. T., and Zhang, X. J. Mol. Biol. 2007, 369, 829-840
-
(2007)
J. Mol. Biol.
, vol.369
, pp. 829-840
-
-
Alguel, Y.1
Meng, C.2
Teran, W.3
Krell, T.4
Ramos, J.L.5
Gallegos, M.T.6
Zhang, X.7
-
41
-
-
77952012460
-
-
http://www.rcsb.org.
-
-
-
-
43
-
-
84986512474
-
-
Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S., and Karplus, M. J. Comput. Chem. 1983, 4, 187-217
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
44
-
-
0001684777
-
-
Zhang, Y., Pan, W., and Yang, W. J. Chem. Phys. 1997, 107, 7921-7925
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 7921-7925
-
-
Zhang, Y.1
Pan, W.2
Yang, W.3
-
45
-
-
4143129098
-
-
Johnson, E. R., Wolkow, R. A., and DiLabio, G. A. Chem. Phys. Lett. 2004, 394, 334-338
-
(2004)
Chem. Phys. Lett.
, vol.394
, pp. 334-338
-
-
Johnson, E.R.1
Wolkow, R.A.2
Dilabio, G.A.3
-
48
-
-
33644897568
-
-
Waller, M. P., Robertazzi, A., Platts, J. A., Hibbs, D. E., and Williams, P. A. J. Comput. Chem. 2006, 27, 491-504
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 491-504
-
-
Waller, M.P.1
Robertazzi, A.2
Platts, J.A.3
Hibbs, D.E.4
Williams, P.A.5
-
50
-
-
0037100895
-
-
Pendás, A. M., Lua-a, V., Pueyo, L., Francisco, E., and Mori-Sánchez, P. J. Chem. Phys. 2002, 117, 1017-1023
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 1017-1023
-
-
Pendás, A.M.1
Lua-a, V.2
Pueyo, L.3
Francisco, E.4
Mori-Sánchez, P.5
-
51
-
-
77952047825
-
-
Wavefunction Inc., Irvine, CA
-
Spartan ES 1.0.2: Deppmeier, B. J., Driessen, A. J., Hehre, W., Johnson, J. A., Klunzinger, P. E., and Watanabe, M. Wavefunction Inc., Irvine, CA, 2002.
-
(2002)
Spartan ES 1.0.2
-
-
Deppmeier, B.J.1
Driessen, A.J.2
Hehre, W.3
Johnson, J.A.4
Klunzinger, P.E.5
Watanabe, M.6
-
53
-
-
77952065743
-
-
http://rutchem.rutgers.edu/~olson/Tsukuba/.
-
-
-
-
54
-
-
0032549195
-
-
Espinosa, E., Molins, E., and Lecomte, C. Chem. Phys. Lett. 1988, 285, 170-173
-
(1988)
Chem. Phys. Lett.
, vol.285
, pp. 170-173
-
-
Espinosa, E.1
Molins, E.2
Lecomte, C.3
-
56
-
-
7544250748
-
-
Viswanathan, R., Asensio, A., and Dannenberg, J. J. J. Phys. Chem. A 2004, 108, 9205-9212
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 9205-9212
-
-
Viswanathan, R.1
Asensio, A.2
Dannenberg, J.J.3
|