-
1
-
-
21344459809
-
-
Dressalhaus, M, Crabtree, G, Buchanan, M, Eds, Basic Energy Sciences, Office of Science, U.S. Department of Energy; Washington, DC
-
(a) Basic Energy Needs for the Hydrogen Economy; Dressalhaus, M., Crabtree, G., Buchanan, M., Eds.; Basic Energy Sciences, Office of Science, U.S. Department of Energy; Washington, DC, 2003.
-
(2003)
Basic Energy Needs for the Hydrogen Economy
-
-
-
2
-
-
3042854492
-
-
Chandra, D, Bautista, R. G, Schlapbach, L, Eds, The Minerals, Metals and Materials Society: Warrendale, PA
-
(b) Maelund, A. J.; Hauback, B. C. In Advanced Materials for the Energy Conversion II; Chandra, D., Bautista, R. G., Schlapbach, L., Eds.; The Minerals, Metals and Materials Society: Warrendale, PA, 2004.
-
(2004)
Advanced Materials for the Energy Conversion II
-
-
Maelund, A.J.1
Hauback, B.C.2
-
3
-
-
0041287760
-
-
Parry, R. W.; Schultz, D. R.; Girardot, P. R. J. Am. Chem. Soc. 1958, 80, 1.
-
(1958)
J. Am. Chem. Soc
, vol.80
, pp. 1
-
-
Parry, R.W.1
Schultz, D.R.2
Girardot, P.R.3
-
4
-
-
0345309429
-
-
Sorokin, V. P.; Vesnina, B. I.; Klimova, N. S. Russ. J. Inorg, Chem. 1963, 8, 32.
-
(1963)
Russ. J. Inorg, Chem
, vol.8
, pp. 32
-
-
Sorokin, V.P.1
Vesnina, B.I.2
Klimova, N.S.3
-
6
-
-
0038899897
-
-
(b) Sit, V.; Geanangel, R. A.; Wendlandt, W. W. Thermochim. Acta 1987, 113, 379.
-
(1987)
Thermochim. Acta
, vol.113
, pp. 379
-
-
Sit, V.1
Geanangel, R.A.2
Wendlandt, W.W.3
-
8
-
-
0041192983
-
-
(a) Wolf, G.; van Miltenburg, R, A.; Wolf, U. Thermochim. Acta 1998, 317, 111.
-
(1998)
Thermochim. Acta
, vol.317
, pp. 111
-
-
Wolf, G.1
van Miltenburg, R.A.2
Wolf, U.3
-
9
-
-
0009929387
-
-
(b) Wolf, G.; Baumann, J.; Baitalow, F.; Hoffmann, F. P. Thermochim. Acta 2000, 343, 19.
-
(2000)
Thermochim. Acta
, vol.343
, pp. 19
-
-
Wolf, G.1
Baumann, J.2
Baitalow, F.3
Hoffmann, F.P.4
-
10
-
-
0037068089
-
-
(c) Baitalow, F.; Baumann, J.; Wolf, G.; Jaenicke-Rlobler, K.; Leitner, G. Thermochim. Acta 2002, 391, 159.
-
(2002)
Thermochim. Acta
, vol.391
, pp. 159
-
-
Baitalow, F.1
Baumann, J.2
Wolf, G.3
Jaenicke-Rlobler, K.4
Leitner, G.5
-
14
-
-
14344263698
-
-
(a) Li, Q. S.; Zhang, J.; Zhang, S. Chem. Phys. Lett. 2005, 404, 100.
-
(2005)
Chem. Phys. Lett
, vol.404
, pp. 100
-
-
Li, Q.S.1
Zhang, J.2
Zhang, S.3
-
15
-
-
14844290276
-
-
(b) Zhang, J.; Zhang, S.; Li, Q. S. J. Mol. Struct. (THEOCHEM) 2005, 717, 33.
-
(2005)
J. Mol. Struct. (THEOCHEM)
, vol.717
, pp. 33
-
-
Zhang, J.1
Zhang, S.2
Li, Q.S.3
-
18
-
-
84962359450
-
-
(c) Nguyen, M. T.; Raspoet, G.; Vanquickenborne, L. G. J. Am. Chem. Soc. 1997, 119, 2552.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 2552
-
-
Nguyen, M.T.1
Raspoet, G.2
Vanquickenborne, L.G.3
-
19
-
-
33746583181
-
-
Clark, T. J.; Russell, C. A.; Manners, I. J. Am. Chem. Soc. 2006, 128, 9582.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 9582
-
-
Clark, T.J.1
Russell, C.A.2
Manners, I.3
-
20
-
-
0041707915
-
-
Jaska, C. A.; Temple, K.; Lough, A. J.; Manners, I. J. Am. Chem. Soc. 2003, 125, 9424.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 9424
-
-
Jaska, C.A.1
Temple, K.2
Lough, A.J.3
Manners, I.4
-
21
-
-
33748798229
-
-
Denney, M. C.; Pons, V.; Hebden, T. J.; Heinekey, D. M.; Goldberg, K. I. J. Am. Chem. Soc. 2006, 128, 12048.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 12048
-
-
Denney, M.C.1
Pons, V.2
Hebden, T.J.3
Heinekey, D.M.4
Goldberg, K.I.5
-
22
-
-
33847013267
-
-
on line, early view, Nov. 28
-
Stephens, F. H.; Baker, R. T.; Matus, M. H.; Grant, D. J.; Dixon, D. A. Angew. Chem. 2006 on line, early view, Nov. 28.
-
(2006)
Angew. Chem
-
-
Stephens, F.H.1
Baker, R.T.2
Matus, M.H.3
Grant, D.J.4
Dixon, D.A.5
-
23
-
-
33847032832
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, Jr, J. A, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, 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, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C,; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; 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.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G,; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.01; Gaussian, Inc.: Wallingford CT, 2004.
-
-
-
-
24
-
-
33847046681
-
-
MOLPRO is a package of ab initio programs designed by H.-J. Werner and P. J. Knowles: Amos, R. D, Bernhardsson, A, Berning, A, Celani, P, Cooper, D. L, Deegan, M. J. O, Dobbyn, A. J, Eckert, F, Hampel, C, Hetzer, G, Knowles, P. J, Korona, T, Lindh, R, Lloyd, A. W, McNicholas, S. J, Manby, F. R, Meyer, W, Mura, M. E, Nicklass, A, Palmieri, P, Pitzer, R, Rauhut, G, Schütz, M, Schumann, U, Stoll, H, Stone, A. J, Tarroni, R, Thorsteinsson, T, Werner, H.-J. MOLPRO, version 2002.6
-
MOLPRO is a package of ab initio programs designed by H.-J. Werner and P. J. Knowles: Amos, R. D.; Bernhardsson, A.; Berning, A.; Celani, P.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Knowles, P. J.; Korona, T.; Lindh, R.; Lloyd, A. W.; McNicholas, S. J.; Manby, F. R.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Rauhut, G., Schütz, M.; Schumann, U.; Stoll, H., Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Werner, H.-J. MOLPRO, version 2002.6.
-
-
-
-
26
-
-
0345491105
-
-
C. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(b) C. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
-
-
-
28
-
-
84987058929
-
-
Pople, J. A.; Seeger, R.; Krishnan, R. Int. J. Quant. Chem. Chem. Symp. 1977, 11, 149.
-
(1977)
Int. J. Quant. Chem. Chem. Symp
, vol.11
, pp. 149
-
-
Pople, J.A.1
Seeger, R.2
Krishnan, R.3
-
31
-
-
0011682081
-
-
(c) Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys., 1987, 87, 5968.
-
(1987)
J. Chem. Phys
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
33
-
-
4143095330
-
-
(b) Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
34
-
-
0010408411
-
-
Peterson, K. A.; Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1994, 100, 7410.
-
(1994)
J. Chem. Phys
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr., T.H.3
-
36
-
-
36449001370
-
-
Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1994, 99, 5219.
-
(1994)
J. Chem. Phys
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
39
-
-
31544447302
-
-
Davidson, E. R.; Ishikawa, Y.; Malli, G. L. Chem. Phys. Lett. 1981, 84, 226.
-
(1981)
Chem. Phys. Lett
, vol.84
, pp. 226
-
-
Davidson, E.R.1
Ishikawa, Y.2
Malli, G.L.3
-
40
-
-
33847055398
-
-
Moore, C. E. Atomic energy levels as derived from the analysis of optical spectra, 1, H to V; U.S. National Bureau of Standards Circular 467, COM-72-50282; U.S. Department of Commerce, National Technical Information Service: Washington, DC, 1949.
-
Moore, C. E. Atomic energy levels as derived from the analysis of optical spectra, Volume 1, H to V; U.S. National Bureau of Standards Circular 467, COM-72-50282; U.S. Department of Commerce, National Technical Information Service: Washington, DC, 1949.
-
-
-
-
45
-
-
0011083499
-
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
-
(1988)
Chem. Rev
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
46
-
-
0003786260
-
-
JPL Publication 02-25, National Aeronautics and Space Administration, Jet Propulsion Laboratory, California Institute of Technology: Pasadena, CA
-
(a) Sander, S. P.; Friedl, R. R.; Ravishankara, A. R.; Golden, D. M.; Kolb, C. E.; Kurylo, M. J.; Huie, R. E.; Orkin, V. L.; Molina, M. J.; Moortgat, G. K.; Finlayson-Pitts, B. J. Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies: Evaluation Number 14; JPL Publication 02-25, National Aeronautics and Space Administration, Jet Propulsion Laboratory, California Institute of Technology: Pasadena, CA, 2003; http://jpldataeval.jpl. nasa.gov/pdf/JPL_02-25._rev02.pdf.
-
(2003)
Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies: Evaluation Number 14
-
-
Sander, S.P.1
Friedl, R.R.2
Ravishankara, A.R.3
Golden, D.M.4
Kolb, C.E.5
Kurylo, M.J.6
Huie, R.E.7
Orkin, V.L.8
Molina, M.J.9
Moortgat, G.K.10
Finlayson-Pitts, B.J.11
-
47
-
-
33847042167
-
-
Thermodynamics Research Center: College Station, TX
-
(b) Frenkel, M.; Kabo, G. J.; Marsh, K. N.; Roganov, G. N.; Wilhoit, R. C. Thermodynamics of organic compounds in the gas state, Vol. I; Thermodynamics Research Center: College Station, TX, 1994.
-
(1994)
Thermodynamics of organic compounds in the gas state
, vol.1
-
-
Frenkel, M.1
Kabo, G.J.2
Marsh, K.N.3
Roganov, G.N.4
Wilhoit, R.C.5
-
49
-
-
17444408145
-
-
Schuurman, M. S.; Allen, W. D.; Schleyer, P. v. R.; Schaefer, H. F., III. J. Chem. Phys. 2005, 122, 104302.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 104302
-
-
Schuurman, M.S.1
Allen, W.D.2
Schleyer, P.V.R.3
Schaefer III, H.F.4
-
51
-
-
0004255534
-
-
2nd ed, Wiley: Chichester, U.K
-
Holbrook, K. A.; Pilling, M. J.; Robertson, S. H. Unimolecular Reactions, 2nd ed.; Wiley: Chichester, U.K., 1996.
-
(1996)
Unimolecular Reactions
-
-
Holbrook, K.A.1
Pilling, M.J.2
Robertson, S.H.3
-
52
-
-
33847040999
-
-
KHIMERA, Version 3.2: A software tool for calculations of chemical reactions thermodynamics and kinetics from first principles; Kintech, Kinetic Technologies, Ltd, Moscow, 2003;
-
KHIMERA, Version 3.2: A software tool for calculations of chemical reactions thermodynamics and kinetics from first principles; Kintech, Kinetic Technologies, Ltd.: Moscow, 2003; http://www.kintech.ru/.
-
-
-
-
53
-
-
0003651195
-
-
2nd ed, Prentice Hall: Englewood Cliffs, NJ
-
Steinfeld, J. I.; Francisco, J. S.; Hase, W. L. Chemical Kinetics and Dynamics, 2nd ed.; Prentice Hall: Englewood Cliffs, NJ, 1999.
-
(1999)
Chemical Kinetics and Dynamics
-
-
Steinfeld, J.I.1
Francisco, J.S.2
Hase, W.L.3
-
54
-
-
33847011679
-
-
Kreevoy, M. M; Truhlar, D. G. In Transition State Theory in Investigations of Rates and Mechanisms of Reactions, 4th ed.; Bernasconi, C. F., Ed.; Wiley: New York, 1986; Part 1, p 13.
-
(a) Kreevoy, M. M; Truhlar, D. G. In Transition State Theory in Investigations of Rates and Mechanisms of Reactions, 4th ed.; Bernasconi, C. F., Ed.; Wiley: New York, 1986; Part 1, p 13.
-
-
-
-
57
-
-
0000036541
-
-
Allinger, N. L, Clark, T, Gasteiger, J, Kollman, P. A, Schaefer, H. F, III, Eds, John Wiley & Sons: Chichester, U.K
-
(d) Garrett, B. C.; Truhlar, D. G. In Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Eds.; John Wiley & Sons: Chichester, U.K., 1998; p 3094.
-
(1998)
Encyclopedia of Computational Chemistry; Schleyer, P
, vol.R
, pp. 3094
-
-
Garrett, B.C.1
Truhlar, D.G.2
-
60
-
-
0037423320
-
-
Zuev, P. S.; Sheridan, R. S.; Albu, T. V.; Truhlar, D. G.; Hrovat, D. A.; Borden, W. T. Science 2003, 299, 867.
-
(2003)
Science
, vol.299
, pp. 867
-
-
Zuev, P.S.1
Sheridan, R.S.2
Albu, T.V.3
Truhlar, D.G.4
Hrovat, D.A.5
Borden, W.T.6
-
62
-
-
0033554036
-
-
Klooster, W. T.; Koetzle, T. F.; Siegbahn, P. E. M.; Richardson, T. B.; Crabtree, R. H. J. Am. Chem. Soc. 1999, 121, 6337.
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 6337
-
-
Klooster, W.T.1
Koetzle, T.F.2
Siegbahn, P.E.M.3
Richardson, T.B.4
Crabtree, R.H.5
|