-
2
-
-
0001861319
-
Mossbauer Spectroscopy in Biological Systems
-
Monticello, IL, Debrunner, P. Tsibris, J. C. M. Munck, E. University of Illinois Press: Urbana, IL
-
Levinthal, C. In Mossbauer Spectroscopy in Biological Systems, Proceedings of a Meeting held at Allerton House, Monticello, IL, Debrunner, P.; Tsibris, J. C. M.; Munck, E., Eds.; University of Illinois Press: Urbana, IL, 1969, pp 22-24.
-
(1969)
Proceedings of A Meeting Held at Allerton House
, pp. 22-24
-
-
Levinthal, C.1
-
3
-
-
0026595799
-
-
Zwanzig, R.; Szabo, A.; Bagchi, B. Proc. Nail. Acad. Sci. U.S.A. 1992, 89, 20-22
-
(1992)
Proc. Nail. Acad. Sci. U.S.A.
, vol.89
, pp. 20-22
-
-
Zwanzig, R.1
Szabo, A.2
Bagchi, B.3
-
5
-
-
26444479778
-
-
Kirkpatrick, S.; Gellat, J. C. D.; Vecchi, M. P. Science 1983, 220, 671-680
-
(1983)
Science
, vol.220
, pp. 671-680
-
-
Kirkpatrick, S.1
Gellat, J.C.D.2
Vecchi, M.P.3
-
6
-
-
0141594956
-
-
Rusyniak, M. J.; Ibrahim, Y. M.; Wright, D. L.; Khanna, S. N.; El-Shall, M. S. J. Am. Chem. Soc. 2003, 125, 12001-12013
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 12001-12013
-
-
Rusyniak, M.J.1
Ibrahim, Y.M.2
Wright, D.L.3
Khanna, S.N.4
El-Shall, M.S.5
-
13
-
-
8844271225
-
-
Johnston, R. L. Springer-Verlag: Heidelberg
-
Hartke, B. In Structure and Bonding (Berlin); Johnston, R. L., Ed.; Springer-Verlag: Heidelberg, 2004; Vol. 110, p 33.
-
(2004)
Structure and Bonding (Berlin)
, vol.110
, pp. 33
-
-
Hartke, B.1
-
14
-
-
24944483137
-
-
Hamad, S.; Catlow, C. R. A.; Woodley, S. M.; Lago, S.; Mejías, J. A. J. Phys. Chem. B 2005, 109, 15741-15748
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 15741-15748
-
-
Hamad, S.1
Catlow, C.R.A.2
Woodley, S.M.3
Lago, S.4
Mejías, J.A.5
-
16
-
-
67649856906
-
-
Li, S.; Hennigan, J. M.; Dixon, D. A.; Peterson, K. A. J. Phys. Chem. A 2009, 113, 7861-7877
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7861-7877
-
-
Li, S.1
Hennigan, J.M.2
Dixon, D.A.3
Peterson, K.A.4
-
17
-
-
77954748909
-
-
Wang, T.-H.; Navarrete-López, A. M.; Li, S.; Dixon, D. A.; Gole, J. L. J. Phys. Chem. A 2010, 114, 7561-7570
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 7561-7570
-
-
Wang, T.-H.1
Navarrete-López, A.M.2
Li, S.3
Dixon, D.A.4
Gole, J.L.5
-
18
-
-
79956161670
-
-
Wang, T.-H.; Fang, Z.; Gist, N. W.; Li, S.; Dixon, D. A.; Gole, J. L. J. Phys. Chem. C 2011, 115, 9344-9360
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 9344-9360
-
-
Wang, T.-H.1
Fang, Z.2
Gist, N.W.3
Li, S.4
Dixon, D.A.5
Gole, J.L.6
-
22
-
-
33745798193
-
-
Pedone, A.; Malavasi, G.; Menziani, M. C.; Cormack, A. N.; Segre, U. J. Phys. Chem. B 2006, 110, 11780-11795
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 11780-11795
-
-
Pedone, A.1
Malavasi, G.2
Menziani, M.C.3
Cormack, A.N.4
Segre, U.5
-
24
-
-
0008814957
-
-
Report No. EPA/600/M-87/021; US EPA Environmental Research Laboratory-Duluth, Duluth, MN
-
Anderson, E.; Veith, G. D.; Weininger, D. SMILES: A Line Notation and Computerized Interpreter for Chemical Structures, Report No. EPA/600/M-87/021; US EPA Environmental Research Laboratory-Duluth, Duluth, MN, 1987.
-
(1987)
SMILES: A Line Notation and Computerized Interpreter for Chemical Structures
-
-
Anderson, E.1
Veith, G.D.2
Weininger, D.3
-
26
-
-
0024664539
-
-
Weininger, D.; Weininger, A.; Weininger, J. L. J. Chem. Inform. Model. 1989, 29, 97-101
-
(1989)
J. Chem. Inform. Model.
, vol.29
, pp. 97-101
-
-
Weininger, D.1
Weininger, A.2
Weininger, J.L.3
-
28
-
-
0033421846
-
-
Lipkowitz, K. B. Boyd, D. B. Wiley-VCH: New York
-
Helson, H. E. In Reviews in Computational Chemistry; Lipkowitz, K. B.; Boyd, D. B., Eds.; Wiley-VCH: New York, 1999; Vol. 13, pp 313-398.
-
(1999)
Reviews in Computational Chemistry
, vol.13
, pp. 313-398
-
-
Helson, H.E.1
-
29
-
-
84880021338
-
-
(accessed April 15)
-
http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html (accessed April 15, 2013).
-
(2013)
-
-
-
32
-
-
85050528342
-
-
Lipkowitz, K. B. Boyd, D. B. VCH: New York
-
Stewart, J. J. P. In Reviews in Computational Chemistry; Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH: New York, 1990; Vol. 1, pp 45-81.
-
(1990)
Reviews in Computational Chemistry
, vol.1
, pp. 45-81
-
-
Stewart, J.J.P.1
-
34
-
-
0037965288
-
-
Grotendorst, J. NIC Series; John von Neumann Institute for Computing, Forschungszentrum Jülich: Jülich, Germany
-
Thiel, W. In Modern Methods and Algorithms in Quantum Chemistry; Grotendorst, J., Ed.; NIC Series; John von Neumann Institute for Computing, Forschungszentrum Jülich: Jülich, Germany, 2000; Vol. 3, pp 233-255.
-
(2000)
Modern Methods and Algorithms in Quantum Chemistry
, vol.3
, pp. 233-255
-
-
Thiel, W.1
-
36
-
-
84879996241
-
-
Semichem, Inc. Shawnee, KS
-
AMPAC 8; Semichem, Inc.: Shawnee, KS, 2004.
-
(2004)
AMPAC 8
-
-
-
38
-
-
0345491105
-
-
Lee, C.; Yang, W.; 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
-
39
-
-
0038596731
-
-
Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200-206
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200-206
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
40
-
-
0001645699
-
-
Sosa, C.; Andzelm, J.; Elkin, B. C.; Wimmer, E.; Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 1992, 96, 6630-6636
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6630-6636
-
-
Sosa, C.1
Andzelm, J.2
Elkin, B.C.3
Wimmer, E.4
Dobbs, K.D.5
Dixon, D.A.6
-
41
-
-
70450206724
-
-
Revision B.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, N. J.; 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, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, Revision B.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, N.J.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, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
43
-
-
84940662796
-
-
Horn, M.; Schwerdtfeger, C. F.; Meagher, E. P. Z. Kristallogr. 1972, 136, 273-281
-
(1972)
Z. Kristallogr.
, vol.136
, pp. 273-281
-
-
Horn, M.1
Schwerdtfeger, C.F.2
Meagher, E.P.3
-
44
-
-
79958164322
-
-
Koch, R.; Lipton, A. S.; Filipek, S.; Renugopalakrishnan, V. J. Mol. Model. 2011, 17, 1467-1472
-
(2011)
J. Mol. Model.
, vol.17
, pp. 1467-1472
-
-
Koch, R.1
Lipton, A.S.2
Filipek, S.3
Renugopalakrishnan, V.4
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