Theoretical study of efficiency of metal cations (Mg⁺, Ca⁺, and Ag⁺) for effective hydrogen storage

References

• L. Schlapbach and A. Zuttel, Nature 414, 353 (2001).
   Google Scholar
• A.W.C. van den Berg and C. Otero Areán, Chem. Commun. 6, 668 (2008).
   Google Scholar
• M.T. Rodgers and P.B. Armentrout, Acc. Chem. Res. 37, 989 (2004).
   PubMed Web of Science ®Google Scholar
• H. Schwarz, Int. J. Mass Spectrom. 237, 75 (2004).
   Web of Science ®Google Scholar
• N.R. Walker, R.S. Walters, and M.A. Duncan, New J. Chem. 29, 1495 (2005).
   Web of Science ®Google Scholar
• V. Dryza and E.J. Bieske, J. Phys. Chem. Lett. 2, 719 (2011).
   Web of Science ®Google Scholar
• V. Dryza, B.I. Poad, and E.J. Bieske, J. Phys. Chem. A 113, 199 (2009).
   PubMed Web of Science ®Google Scholar
• V. Dryza, E.J. Bieske, A.A. Buchachenko, and J. Klos, J. Chem. Phys. 134, 044310–1 (2011).
   Google Scholar
• V. Dryza, B.I. Poad, and E.J. Bieske, J. Phys. Chem. A 113, 6044 (2009).
   PubMed Web of Science ®Google Scholar
• C.W. Bauschlicher, Chem. Phys. Lett. 201, 11 (1993).
   Web of Science ®Google Scholar
• S. Petrie and R.C. Dunbar, J. Phys. Chem. A 104, 4480 (2000).
   Web of Science ®Google Scholar
• E. Czuchaj, M. Krosnicki, and H. Stoll, Mol. Phys. 98, 419 (2000).
   Web of Science ®Google Scholar
• M. Krosnicki and M. Czub, Theo. Chem. Acc. 115, 322 (2006).
   Web of Science ®Google Scholar
• V. Dryza, B.I. Poad, and E.J. Bieske, Phys. Chem. Chem. Phys. 14, 14954 (2012).
   PubMedGoogle Scholar
• J.A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 87, 5968 (1987).
   Web of Science ®Google Scholar
• S. Grimme, J. Comput. Chem. 25, 1463 (2004).
   PubMed Web of Science ®Google Scholar
• S. Grimme, J. Comput. Chem. 27, 1787 (2006).
   Google Scholar
• M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras, J. Chem. Phys. 114, 5149 (2001).
   Web of Science ®Google Scholar
• X. Wu, M.C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001).
   Web of Science ®Google Scholar
• M. Parac, M. Etinski, M. Peric, and S. Grimme, J. Chem. Theo. Comput. 1, 1110 (2005).
   PubMed Web of Science ®Google Scholar
• T. Schwabe and S. Grimme, Phys. Chem. Chem. Phys. 9, 3397 (2007).
   PubMed Web of Science ®Google Scholar
• S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010).
   PubMed Web of Science ®Google Scholar
• T. Schwabe and S. Grimme, Phys. Chem. Chem. Phys. 8, 4398 (2006).
   PubMed Web of Science ®Google Scholar
• C. Adamo and V. Barone, J. Chem. Phys. 108, 664 (1998).
   Web of Science ®Google Scholar
• T.H. Dunning, J. Chem. Phys. 90, 1007 (1989).
   Web of Science ®Google Scholar
• K. Koput and K.A. Peterson, J. Phys. Chem. A 106, 9595 (2002).
   Web of Science ®Google Scholar
• T.H. Dunning, Jr., K.A. Peterson, and D.E. Woon, Encyclopedia of Computational Chemistry, ed. P. von Rague Schleyer (Wiley & Sons, New York, 1998), vol. 1, pp. 88–115.
   Google Scholar
• K.A. Peterson and C. Puzzarini, Theor. Chem. Acc. 114, 283 (2005).
   Web of Science ®Google Scholar
• M. Guitou-Guichemerre, and G. Chambaud, J. Chem. Phys. 122, 204325 (2005).
   PubMed Web of Science ®Google Scholar
• M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox, Gaussian 09, Revision B.01 (Gaussian, Inc., Wallingford, CT, 2009).
   Google Scholar
• F. Neese, ORCA, Version 2.10.0 (University of Bonn, Bonn, Germany, 2010).
   Google Scholar
• G.A. Zhurko and D.A. Zhurko, Chemcraft, Vers. 1.6, (Gaussian, Inc., Wallingford, CT, 2010).
   Google Scholar
• B. Jeziorski, R. Moszynski, and K. Szalewicz, Chem. Rev. 94, 1887 (1994).
   Web of Science ®Google Scholar
• M.S. Gordon and M.W. Schmidt, Theory and Applications of Computational Chemistry: The First Forty Years, (Elsevier, Amsterdam, The Netherlands, 2005).
   Google Scholar
• M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis and J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
   Web of Science ®Google Scholar
• R. Bukowski, W. Cencek, P. Jankowski, M. Jeziorska, B. Jeziorski, S. A. Kucharski, V. F. Lotrich, A. J. Misquitta, R. Moszynski, K. Patkowski, SAPT2008: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies, sequential and parallel versions, (University of Delaware, Newark, DE; University of Warsaw, Warsaw, Poland, 2009).
   Google Scholar
• D.E. Jennings and J.W. Brault, J. Mol. Spectros. 102, 265 (1983).
   Web of Science ®Google Scholar