-
1
-
-
33644545430
-
Optimum conditions for adsorptive storage
-
Bhatia, S. K.; Myers, A. L. Optimum conditions for adsorptive storage. Langmuir 2006, 22, 1688-1700.
-
(2006)
Langmuir
, vol.22
, pp. 1688-1700
-
-
Bhatia, S.K.1
Myers, A.L.2
-
2
-
-
0035917267
-
Determination of the adsorption isotherms of hydrogen on activated carbons above the critical temperature of the adsorbate over wide temperature and pressure ranges
-
Benard, P.; Chahine, R. Determination of the adsorption isotherms of hydrogen on activated carbons above the critical temperature of the adsorbate over wide temperature and pressure ranges. Langmuir 2001, 17, 1950-1955.
-
(2001)
Langmuir
, vol.17
, pp. 1950-1955
-
-
Benard, P.1
Chahine, R.2
-
3
-
-
0042890410
-
Materials for hydrogen storage
-
Züttel, A. Materials for hydrogen storage. Mater. Today 2003, 24-33.
-
(2003)
Mater. Today
, pp. 24-33
-
-
Züttel, A.1
-
4
-
-
33745444186
-
Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions
-
Lochan, R. C.; Head-Gordon, M. Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions. Phys. Chem. Chem. Phys. 2006, 8, 1357-1370.
-
(2006)
Phys. Chem. Chem. Phys
, vol.8
, pp. 1357-1370
-
-
Lochan, R.C.1
Head-Gordon, M.2
-
5
-
-
18144402063
-
Hydrogen storage in novel organometallic buckyballs
-
155504/1-155504/4
-
Zhao, Y.; Kim, Y-H.; Dillon, A. C.; Heben, M. J.; Zhang, S. B. Hydrogen storage in novel organometallic buckyballs. Phys. Rev. Lett. 2005, 94, 155504/1-155504/4.
-
(2005)
Phys. Rev. Lett
, vol.94
-
-
Zhao, Y.1
Kim, Y.-H.2
Dillon, A.C.3
Heben, M.J.4
Zhang, S.B.5
-
6
-
-
84906371575
-
-
Corannulene was provided by James Mack
-
(a) Corannulene was provided by James Mack.
-
-
-
-
7
-
-
84906385694
-
-
Underwood, K. Hydrogen Storage and the Synthesis of 5,8-Dihydroindeno[2,1-c]fluorenes. M.Sc. Thesis, Wright State University, Dayton, OH, 2006,(c) Homborg, H.; Kalz, W. Preparation and characterization of tetraalkylammonium lithium phthalocyanines. Z. Naturforsch., B: Anorg. Chem. Org. Chem. 1978, 33B, 968-975.
-
(b) Underwood, K. Hydrogen Storage and the Synthesis of 5,8-Dihydroindeno[2,1-c]fluorenes. M.Sc. Thesis, Wright State University, Dayton, OH, 2006,(c) Homborg, H.; Kalz, W. Preparation and characterization of tetraalkylammonium lithium phthalocyanines. Z. Naturforsch., B: Anorg. Chem. Org. Chem. 1978, 33B, 968-975.
-
-
-
-
8
-
-
33646429189
-
Investigation of corannulene for molecular hydrogen storage via computational chemistry and experimentation
-
Scanlon, L. G.; Balbuena, P. B.; Zhang, Y.; Sandi, G.; Back, C. K.; Feld, W. A.; Mack, J.; Rottmayer, M. A.; Riepenhoff, J. L. Investigation of corannulene for molecular hydrogen storage via computational chemistry and experimentation. J. Phys. Chem. B 2006, 110, 7688-7694.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 7688-7694
-
-
Scanlon, L.G.1
Balbuena, P.B.2
Zhang, Y.3
Sandi, G.4
Back, C.K.5
Feld, W.A.6
Mack, J.7
Rottmayer, M.A.8
Riepenhoff, J.L.9
-
9
-
-
0003422992
-
-
2nd ed, Gaussian, Inc, Pittsburgh, Pa
-
Foresman, J. B, Frisch, Æ. Exploring Chemistry with Electronic Structure Methods, 2nd ed.; Gaussian, Inc.: Pittsburgh, Pa.
-
Exploring Chemistry with Electronic Structure Methods
-
-
Foresman, J.B.1
Frisch2
-
10
-
-
84906371576
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, 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, J. A., Jr.; 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 A.7; Gaussian, Inc.: Pittsburgh, PA, 2004.
-
-
-
-
11
-
-
84893169025
-
-
GAMESS, 24MAR07 [R1], see: 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, L.; Montgomery, J. A. J. Comput. Chem 1993, 14, 1347.
-
GAMESS, 24MAR07 [R1], see: 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, L.; Montgomery, J. A. J. Comput. Chem 1993, 14, 1347.
-
-
-
-
12
-
-
0343755990
-
Adsorption of hydrogen on the surface of graphite
-
Dericbourg, J. Adsorption of hydrogen on the surface of graphite. Surf. Sci. 1976, 59, 565-574.
-
(1976)
Surf. Sci
, vol.59
, pp. 565-574
-
-
Dericbourg, J.1
-
13
-
-
15544363600
-
Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes
-
Cheng, H.; Cooper, A. C.; Pez, G. P.; Kostov, M. K.; Piotrowski, P.; Stuart, S. J. Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes. J. Phys. Chem. B 2005, 109, 3780-3786.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 3780-3786
-
-
Cheng, H.1
Cooper, A.C.2
Pez, G.P.3
Kostov, M.K.4
Piotrowski, P.5
Stuart, S.J.6
-
14
-
-
0037013392
-
Ab initio investigation of physisorption of molecular hydrogen on planar and curved graphenes
-
Okamoto, Y.; Miyamoto, Y. Ab initio investigation of physisorption of molecular hydrogen on planar and curved graphenes. J. Phys. Chem. B 2001, 105, 3470-3474.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 3470-3474
-
-
Okamoto, Y.1
Miyamoto, Y.2
-
15
-
-
0037205133
-
Hydrogen storage in single-walled carbon nanotube bundles and peapods
-
Shiraishi, M.; Takenobu, T.; Yamada, A.; Ata, M.; Kataura, H. Hydrogen storage in single-walled carbon nanotube bundles and peapods. Chem. Phys. Lett. 2002, 358, 213-218.
-
(2002)
Chem. Phys. Lett
, vol.358
, pp. 213-218
-
-
Shiraishi, M.1
Takenobu, T.2
Yamada, A.3
Ata, M.4
Kataura, H.5
-
16
-
-
0037427733
-
Gas-solid interactions in the hydrogen/single-walled carbon nanotube system
-
Shiraishi, M.; Takenobu, T.; Ata, M. Gas-solid interactions in the hydrogen/single-walled carbon nanotube system. Chem. Phys. Lett. 2003, 367, 633-636.
-
(2003)
Chem. Phys. Lett
, vol.367
, pp. 633-636
-
-
Shiraishi, M.1
Takenobu, T.2
Ata, M.3
-
17
-
-
79956042087
-
Hydrogen desorption properties of multiwall carbon nanoyubes with closed and open structures
-
Lee, H.; Kang, Y. S.; Kim, S. H.; Lee, J. Y. Hydrogen desorption properties of multiwall carbon nanoyubes with closed and open structures. Appl. Phys. Lett. 2002, 80, 577-579.
-
(2002)
Appl. Phys. Lett
, vol.80
, pp. 577-579
-
-
Lee, H.1
Kang, Y.S.2
Kim, S.H.3
Lee, J.Y.4
-
18
-
-
11144353604
-
On the interaction of dihydrogen with aromatic systems
-
Hübner, O.; Glöss, A.; Fichtner, M.; Klopper, W. On the interaction of dihydrogen with aromatic systems. J. Phys. Chem. A 2004, 108, 3019- 3023.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 3019-3023
-
-
Hübner, O.1
Glöss, A.2
Fichtner, M.3
Klopper, W.4
-
19
-
-
17444367385
-
-
Ferre-Vilaplana, A. Nunerical treatment discussion and ab initio computational reinvestigation of physisorption of molecular hydrogen on graphene. J. Chem. Phys. 2005, 122, 1047091-104709-10.
-
Ferre-Vilaplana, A. Nunerical treatment discussion and ab initio computational reinvestigation of physisorption of molecular hydrogen on graphene. J. Chem. Phys. 2005, 122, 1047091-104709-10.
-
-
-
-
20
-
-
33845949509
-
Hydrogen storage in a microporous metal-organic framework with exposed Mn2+ coordination sites
-
Dincǎ, M.; Dailly, A.; Liu, Y.; Brown, C. M.; Neumann, D. A.; Long, J. R. Hydrogen storage in a microporous metal-organic framework with exposed Mn2+ coordination sites. J. Am. Chem. Soc. 2006, 128, 16876- 16883.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 16876-16883
-
-
Dincǎ, M.1
Dailly, A.2
Liu, Y.3
Brown, C.M.4
Neumann, D.A.5
Long, J.R.6
-
21
-
-
33845455620
-
Neutron powder diffraction study of D2 sorption in Cu3(1,3,5-benzenetricarboxylate)2
-
Peterson, V. K.; Liu, Y.; Brown, C. M.; Kepert, C. J. Neutron powder diffraction study of D2 sorption in Cu3(1,3,5-benzenetricarboxylate)2. J. Am. Chem. Soc. 2006, 128, 15578-15579.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 15578-15579
-
-
Peterson, V.K.1
Liu, Y.2
Brown, C.M.3
Kepert, C.J.4
-
22
-
-
33744928369
-
-
Grossie, D. A.; Feld, W. A.; Scanlon, L.; Sandi, G.; Wawrzak, Z. Di-μ -acetone-κ 2O:O-bis[(acetone-κ O)aqualithium(I)] di-μ -acetone-κ 2O:Obis [(diaqualithium(I)] tetrakis{[phthalocyaninato(2-)- κ 4N,N,N,N] lithiate(I)}. Acta Crystallogr. 2006, E62, m827-m829.
-
Grossie, D. A.; Feld, W. A.; Scanlon, L.; Sandi, G.; Wawrzak, Z. Di-μ -acetone-κ 2O:O-bis[(acetone-κ O)aqualithium(I)] di-μ -acetone-κ 2O:Obis [(diaqualithium(I)] tetrakis{[phthalocyaninato(2-)- κ 4N,N,N,N] lithiate(I)}. Acta Crystallogr. 2006, E62, m827-m829.
-
-
-
-
23
-
-
58149269260
-
Molecular dynamics simulations of hydrogen adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures
-
Lamonte, K.; Gomez-Gualdron, D. A.; Scanlon, L. G.; Sandi, G.; Feld, W.; Balbuena, P. B. Molecular dynamics simulations of hydrogen adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures. J. Phys. Chem. B 2008, 112, 15775-15782.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 15775-15782
-
-
Lamonte, K.1
Gomez-Gualdron, D.A.2
Scanlon, L.G.3
Sandi, G.4
Feld, W.5
Balbuena, P.B.6
|