-
2
-
-
0042797442
-
-
Cambridge University Press: Cambridge, U.K.
-
Wales, D. J. Energy Landscapes; Cambridge University Press: Cambridge, U.K., 2003; p 301.
-
(2003)
Energy Landscapes
, pp. 301
-
-
Wales, D.J.1
-
4
-
-
3242880241
-
-
Wu, Y.; Schmitt, J. D.; Car, R. J. Chem. Phys. 2004, 121, 1193-1200
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 1193-1200
-
-
Wu, Y.1
Schmitt, J.D.2
Car, R.3
-
5
-
-
17444362272
-
-
Ensing, B.; Laio, A.; Parrinello, M.; Klein, M. L. J. Phys. Chem. B 2005, 109, 6676-6687
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 6676-6687
-
-
Ensing, B.1
Laio, A.2
Parrinello, M.3
Klein, M.L.4
-
8
-
-
25844521139
-
-
Maeda, S.; Watanabe, Y.; Ohno, K. Chem. Phys. Lett. 2005, 414, 265-270
-
(2005)
Chem. Phys. Lett.
, vol.414
, pp. 265-270
-
-
Maeda, S.1
Watanabe, Y.2
Ohno, K.3
-
11
-
-
58649123095
-
-
Burger, S. K.; Liu, Y.; Sarkar, U.; Ayers, P. W. J. Chem. Phys. 2009, 130, 024103
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 024103
-
-
Burger, S.K.1
Liu, Y.2
Sarkar, U.3
Ayers, P.W.4
-
12
-
-
7544228185
-
-
Dey, B. K.; Janicki, M. R.; Ayers, P. W. J. Chem. Phys. 2004, 121, 6667-6679
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 6667-6679
-
-
Dey, B.K.1
Janicki, M.R.2
Ayers, P.W.3
-
13
-
-
33846423590
-
-
Dey, B. K.; Bothwell, S.; Ayers, P. W. J. Math. Chem. 2006, 41, 1-25
-
(2006)
J. Math. Chem.
, vol.41
, pp. 1-25
-
-
Dey, B.K.1
Bothwell, S.2
Ayers, P.W.3
-
14
-
-
84885524033
-
-
Matta, C. F. Wiley-VCH: Boston
-
Liu, Y.; Burger, S. K.; Dey, B. K.; Sarkar, U.; Janicki, M. R.; Ayers, P. W. In Quantum Biochemistry; Matta, C. F., Ed.; Wiley-VCH: Boston, 2010; pp 171-195.
-
(2010)
Quantum Biochemistry
, pp. 171-195
-
-
Liu, Y.1
Burger, S.K.2
Dey, B.K.3
Sarkar, U.4
Janicki, M.R.5
Ayers, P.W.6
-
16
-
-
0037080723
-
-
Müller, E. M.; de Meijere, A.; Grubmüller, H. J. Chem. Phys. 2002, 116, 897-905
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 897-905
-
-
Müller, E.M.1
De Meijere, A.2
Grubmüller, H.3
-
24
-
-
84885150689
-
-
In, 1 st ed. Dykstra, C. Frenking, G. Kim, K. Scuseria, G. Elsevier BV: Amsterdam, Chapter 10
-
Hratchian, H. P.; Schlegel, H. B. In Theory and Applications of Computational Chemistry: The First Forty Years, 1 st ed.; Dykstra, C.; Frenking, G.; Kim, K.; Scuseria, G., Eds.; Elsevier BV: Amsterdam, 2005; Chapter 10, pp 195-249.
-
(2005)
Theory and Applications of Computational Chemistry: The First Forty Years
, pp. 195-249
-
-
Hratchian, H.P.1
Schlegel, H.B.2
-
25
-
-
41949085799
-
-
Sheppard, D.; Terrell, R.; Henkelman, G. J. Chem. Phys. 2008, 128, 1-10
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 1-10
-
-
Sheppard, D.1
Terrell, R.2
Henkelman, G.3
-
28
-
-
84885636993
-
-
Bofill, J. M.; Quapp, W.; Caballero, M. Chem. Phys. Lett. 2013, 583, 203-208
-
(2013)
Chem. Phys. Lett.
, vol.583
, pp. 203-208
-
-
Bofill, J.M.1
Quapp, W.2
Caballero, M.3
-
29
-
-
84861385971
-
-
Boggio-Pasqua, M.; Burmeister, C. F.; Robb, M. a.; Groenhof, G. Phys. Chem. Chem. Phys. 2012, 14, 7912-7928
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 7912-7928
-
-
Boggio-Pasqua, M.1
Burmeister, C.F.2
Robb, M.A.3
Groenhof, G.4
-
30
-
-
84903362515
-
-
Mendive-Tapia, D.; Vacher, M.; Bearpark, M. J.; Robb, M. a. J. Chem. Phys. 2013, 139, 044110
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 044110
-
-
Mendive-Tapia, D.1
Vacher, M.2
Bearpark, M.J.3
Robb, M.A.4
-
31
-
-
65749118589
-
-
Jiang, C.; Xie, R.; Li, F.; Allen, R. E. Chem. Phys. Lett. 2009, 474, 263-267
-
(2009)
Chem. Phys. Lett.
, vol.474
, pp. 263-267
-
-
Jiang, C.1
Xie, R.2
Li, F.3
Allen, R.E.4
-
32
-
-
77956672585
-
-
Tsen, K. T. Academic Press: San Diego, Chapter 7
-
Allen, R. E.; Dumitrica, T.; Torralva, B. R. In Ultrafast Physical Processes in Semiconductors; Tsen, K. T., Ed.; Academic Press: San Diego, 2001; Chapter 7, pp 315-388.
-
(2001)
Ultrafast Physical Processes in Semiconductors
, pp. 315-388
-
-
Allen, R.E.1
Dumitrica, T.2
Torralva, B.R.3
-
33
-
-
0017251977
-
-
Warshel, A. Nature 1976, 260, 679-683
-
(1976)
Nature
, vol.260
, pp. 679-683
-
-
Warshel, A.1
-
40
-
-
3242703331
-
-
Liu, H.; Lu, Z.; Cisneros, G. A.; Yang, W. J. Chem. Phys. 2004, 121, 697-706
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 697-706
-
-
Liu, H.1
Lu, Z.2
Cisneros, G.A.3
Yang, W.4
-
41
-
-
2442573648
-
-
Xie, L.; Liu, H.; Yang, W. J. Chem. Phys. 2004, 120, 8039-8052
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 8039-8052
-
-
Xie, L.1
Liu, H.2
Yang, W.3
-
43
-
-
0042431983
-
-
Cisneros, G. A.; Liu, H.; Zhang, Y.; Yang, W. J. Am. Chem. Soc. 2003, 125, 10384-10393
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 10384-10393
-
-
Cisneros, G.A.1
Liu, H.2
Zhang, Y.3
Yang, W.4
-
44
-
-
18644375413
-
-
Cisneros, G. A.; Liu, H.; Lu, Z.; Yang, W. J. Chem. Phys. 2005, 122, 114502
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 114502
-
-
Cisneros, G.A.1
Liu, H.2
Lu, Z.3
Yang, W.4
-
46
-
-
0242456295
-
-
Dou, Y.; Torralva, B. R.; Allen, R. E. J. Mod. Opt. 2003, 50, 2615-2643
-
(2003)
J. Mod. Opt.
, vol.50
, pp. 2615-2643
-
-
Dou, Y.1
Torralva, B.R.2
Allen, R.E.3
-
47
-
-
0035922555
-
-
Albu, T. V.; Corchado, C.; Truhlar, D. G. J. Phys. Chem. A 2001, 105, 8465-8487
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8465-8487
-
-
Albu, T.V.1
Corchado, C.2
Truhlar, D.G.3
-
49
-
-
2442667811
-
-
Lin, H.; Pu, J.; Albu, T. V.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 4112-4124
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 4112-4124
-
-
Lin, H.1
Pu, J.2
Albu, T.V.3
Truhlar, D.G.4
-
50
-
-
33846309628
-
-
Lin, H.; Zhao, Y.; Tishchenko, O.; Truhlar, D. G. J. Chem. Theory Comput. 2006, 2, 1237-1254
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 1237-1254
-
-
Lin, H.1
Zhao, Y.2
Tishchenko, O.3
Truhlar, D.G.4
-
54
-
-
0033737606
-
-
Ben-Nun, M.; Queenneville, J.; Martinez, T. J. J. Phys. Chem. A 2000, 104, 5161-5175
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5161-5175
-
-
Ben-Nun, M.1
Queenneville, J.2
Martinez, T.J.3
-
55
-
-
43049165304
-
-
Levine, B. G.; Coe, J. D.; Virshup, A. M.; Martnez, T. J. Chem. Phys. 2008, 347, 3-16
-
(2008)
Chem. Phys.
, vol.347
, pp. 3-16
-
-
Levine, B.G.1
Coe, J.D.2
Virshup, A.M.3
Martnez, T.J.4
-
56
-
-
34447622847
-
-
Barbatti, M.; Granucci, G.; Persico, M.; Ruckenbauer, M.; Vazdar, M.; Eckert-Maksić, M.; Lischka, H. J. Photochem. Photobiol. A: Chem. 2007, 190, 228-240
-
(2007)
J. Photochem. Photobiol. A: Chem.
, vol.190
, pp. 228-240
-
-
Barbatti, M.1
Granucci, G.2
Persico, M.3
Ruckenbauer, M.4
Vazdar, M.5
Eckert-Maksić, M.6
Lischka, H.7
-
57
-
-
84890798835
-
-
Barbatti, M.; Ruckenbauer, M.; Plasser, F.; Pittner, J.; Granucci, G.; Persico, M.; Lischka, H. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2014, 4, 26-33
-
(2014)
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
, vol.4
, pp. 26-33
-
-
Barbatti, M.1
Ruckenbauer, M.2
Plasser, F.3
Pittner, J.4
Granucci, G.5
Persico, M.6
Lischka, H.7
-
59
-
-
84855846728
-
-
Yonehara, T.; Hanasaki, K.; Takatsuka, K. Chem. Rev. 2012, 112, 499-542
-
(2012)
Chem. Rev.
, vol.112
, pp. 499-542
-
-
Yonehara, T.1
Hanasaki, K.2
Takatsuka, K.3
-
62
-
-
79551637591
-
-
Mokrauer, D. S.; Kelley, C. T.; Bykhovski, A. IEEE Trans. Nanotechnol. 2011, 10, 70-74
-
(2011)
IEEE Trans. Nanotechnol.
, vol.10
, pp. 70-74
-
-
Mokrauer, D.S.1
Kelley, C.T.2
Bykhovski, A.3
-
63
-
-
84879923950
-
-
Patrício, M.; Santos, J. L.; Patrcio, F.; Varandas, A. J. C. J. Math. Chem. 2013, 51, 1729-1746
-
(2013)
J. Math. Chem.
, vol.51
, pp. 1729-1746
-
-
Patrício, M.1
Santos, J.L.2
Patrcio, F.3
Varandas, A.J.C.4
-
66
-
-
33748701069
-
-
Godsi, O.; Evenhuis, C. R.; Collins, M. A. J. Chem. Phys. 2006, 125, 104105
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 104105
-
-
Godsi, O.1
Evenhuis, C.R.2
Collins, M.A.3
-
67
-
-
0345529866
-
-
Maisuradze, G. G.; Thompson, D. L.; Wagner, A. F.; Minkoff, M. J. Chem. Phys. 2003, 119, 10002
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 10002
-
-
Maisuradze, G.G.1
Thompson, D.L.2
Wagner, A.F.3
Minkoff, M.4
-
68
-
-
10844253784
-
-
Maisuradze, G. G.; Kawano, A.; Thompson, D. L.; Wagner, A. F.; Minkoff, M. J. Chem. Phys. 2004, 121, 10329-10338
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 10329-10338
-
-
Maisuradze, G.G.1
Kawano, A.2
Thompson, D.L.3
Wagner, A.F.4
Minkoff, M.5
-
71
-
-
84870032945
-
-
Mokrauer, D. S.; Kelley, C. T.; Bykhovski, A. J. Algorithms Comp. Technol. 2012, 6, 577-592
-
(2012)
J. Algorithms Comp. Technol.
, vol.6
, pp. 577-592
-
-
Mokrauer, D.S.1
Kelley, C.T.2
Bykhovski, A.3
-
73
-
-
0034381734
-
-
Barthelmann, V.; Novak, E.; Ritter, K. Adv. Comp. Math. 2000, 12, 273-288
-
(2000)
Adv. Comp. Math.
, vol.12
, pp. 273-288
-
-
Barthelmann, V.1
Novak, E.2
Ritter, K.3
-
74
-
-
84906279197
-
-
Working Paper 19326, pp, (accessed Jan. 5, 2014).
-
Judd, K. L.; Maliar, L.; Maliar, S.; Valero, R. Smolyak Method for Solving Dynamic Economic Models: Lagrange Interpolation, Anisotropic Grid and Adaptive Domain; Working Paper 19326, 2013; pp 1-47, http://www.nber.org/papers/ w19326 (accessed Jan. 5, 2014).
-
(2013)
Smolyak Method for Solving Dynamic Economic Models: Lagrange Interpolation, Anisotropic Grid and Adaptive Domain
, pp. 1-47
-
-
Judd, K.L.1
Maliar, L.2
Maliar, S.3
Valero, R.4
-
77
-
-
45149119124
-
-
Rodríguez, J. I.; Thompson, D. C.; Ayers, P. W.; Köster, A. M. J. Chem. Phys. 2008, 128, 224103
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 224103
-
-
Rodríguez, J.I.1
Thompson, D.C.2
Ayers, P.W.3
Köster, A.M.4
-
78
-
-
54749152446
-
-
Rodriguez, J. I.; Thompson, D. C.; Anderson, J. S. M.; Thomson, J. W.; Ayers, P. W. J. Phys. A: Math. Theor. 2008, 41, 365202
-
(2008)
J. Phys. A: Math. Theor.
, vol.41
, pp. 365202
-
-
Rodriguez, J.I.1
Thompson, D.C.2
Anderson, J.S.M.3
Thomson, J.W.4
Ayers, P.W.5
-
88
-
-
59349091447
-
-
Luo, X.-L.; Kelley, C. T.; Liao, L.-Z.; Tam, H. W. J. Optim. Theory Appl. 2009, 140, 265-286
-
(2009)
J. Optim. Theory Appl.
, vol.140
, pp. 265-286
-
-
Luo, X.-L.1
Kelley, C.T.2
Liao, L.-Z.3
Tam, H.W.4
-
90
-
-
84875379930
-
-
Version 8.3.0 (R2014a); The MathWorks, Inc. Natick, MA.
-
MATLAB, Version 8.3.0 (R2014a); The MathWorks, Inc.: Natick, MA, 2014.
-
(2014)
MATLAB
-
-
-
93
-
-
49649139800
-
-
Beringhelli, T.; Gavezzotti, A.; Simonetta, M. J. Mol. Struct. 1972, 12, 333-342
-
(1972)
J. Mol. Struct.
, vol.12
, pp. 333-342
-
-
Beringhelli, T.1
Gavezzotti, A.2
Simonetta, M.3
-
95
-
-
0039762027
-
-
Palmer, I. J.; Ragazos, I. N.; Bernardi, F.; Olivucci, M.; Robb, M. A. J. Am. Chem. Soc. 1993, 115, 673-682
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 673-682
-
-
Palmer, I.J.1
Ragazos, I.N.2
Bernardi, F.3
Olivucci, M.4
Robb, M.A.5
-
96
-
-
26244447099
-
-
Woolard, D. L.; Brown, R.; Pepper, M.; Kemp, M. Proc. IEEE 2005, 93, 1722-1743
-
(2005)
Proc. IEEE
, vol.93
, pp. 1722-1743
-
-
Woolard, D.L.1
Brown, R.2
Pepper, M.3
Kemp, M.4
-
97
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
99
-
-
0005744966
-
-
Stevens, W. J.; Basch, H.; Krauss, M. J. Chem. Phys. 1984, 81, 6026-6033
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 6026-6033
-
-
Stevens, W.J.1
Basch, H.2
Krauss, M.3
-
100
-
-
0001510524
-
-
Stevens, W. J.; Krauss, M.; Basch, H.; Jasien, P. G. Can. J. Chem. 1992, 70, 612-630
-
(1992)
Can. J. Chem.
, vol.70
, pp. 612-630
-
-
Stevens, W.J.1
Krauss, M.2
Basch, H.3
Jasien, P.G.4
-
103
-
-
70450206724
-
-
Revision A.1; Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, Jr., J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, Revision A.1; Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, O.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
|