Mostrando resultados 1 a 20 de 27
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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| closedAccess |  | 2007 | A comparative ab initio study of SF6⋯X- and CF4⋯X- complexes (X = H, F, Cl, CN, NC, N3 and NCO) | Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2008 | A computational study of dimers and trimers of hypohalous acids | Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2009 | A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions | Solimannejad, Mohammad; Massahi, S.; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2010 | A computational study of the potential energy surface of peroxyformic acid dimers | Solimannejad, Mohammad; Shahbazi, Farzin; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2012 | A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydride | Solimannejad, Mohammad; Gharabaghi, M.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID | artículo |
| closedAccess |  | 2011 | A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issue | Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID; Solimannejad, Mohammad | artículo |
| closedAccess | | 2011 | A theoretical study of the interactions of NF3 with neutral ambidentate electron donor and acceptor molecules | Blanco, Fernando CSIC; Alkorta, Ibon CSIC ORCID ; Rozas, Isabel; Solimannejad, Mohammad; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2007 | Ab initio study of complexes pairing HRgX and H2 (Rg = Ar, Kr and X = F, Cl, CN) | Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2013 | Ab initio study of water clustering in the presence of a methyl radical | Solimannejad, Mohammad; Gharabaghi, M.; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2012 | Competition and interplay between σ-hole and π-hole interactions: A computational study of 1:1 and 1:2 complexes of nitryl halides (O 2NX) with ammonia | Solimannejad, Mohammad; Ramezani, V.; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2006 | Competition between nonclassical hydrogen-bonded acceptor sites in complexes of neutral AH2 radicals (A = B, Al, and Ga): A theoretical investigation | Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2008 | Competition of hydrogen bonds and halogen bonds in complexes of hypohalous acids with nitrogenated bases | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Solimannejad, Mohammad; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2010 | Cooperative and diminutive unusual weak bonding in F3CX⋯ HMgH⋯Y and F3CX⋯Y⋯HMgH Trimers (X = Cl, Br; Y = HCN, and HNC) | Solimannejad, Mohammad; Malekani, M.; Alkorta, Ibon CSIC ORCID | artículo |
| openAccess |  | 14-ago-2008 | Dihydrogen bond cooperativity in (HCCBeH)n clusters | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Solimannejad, Mohammad | artículo |
| closedAccess |  | 2011 | Dihydrogen bonding vs metal-σ interaction in complexes between H 2 and metal hydride | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Solimannejad, Mohammad; Grabowski, S. J. | artículo |
| closedAccess |  | 2008 | Inverse hydrogen bonds between XeH2 and hydride and fluoride derivatives of Li, Be, Na and Mg | Blanco, Fernando CSIC; Solimannejad, Mohammad; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2013 | Orthogonal interactions between nitryl derivatives and electron donors: Pnictogen bonds | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2014 | Single electron pnicogen bonded complexes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Solimannejad, Mohammad | artículo |
| closedAccess |  | 2009 | Stabilities and properties of ozone-nitrosyl hydride (O3-HNO) complexes: A computational study | Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2013 | Substituent effects on the cooperativity of halogen bonding | Solimannejad, Mohammad; Malekani, M.; Alkorta, Ibon CSIC ORCID | artículo |
