Browsing by Author "Politzer, Peter"
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- ItemA noteworthy feature of bond dissociation/formation reactions(2007) Politzer, Peter; Murray, Jane S.; Lane, Pat; Toro Labbé, Alejandro
- ItemAn electrostatic interaction correction for improved crystal density prediction(2009) Politzer, Peter; Martínez Araya, Jorge Ignacio; Murray, Jane S.; Concha, Monica C.; Toro Labbé, Alejandro
- ItemAnalysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant(2009) Murray, Jane S.; Toro Labbé, Alejandro; Clark, Tim; Politzer, Peter
- ItemFine structure in the transition region: reaction force analyses of water-assisted proton transfers(2013) Yepes, Diana; Murray, Jane S.; Santos, Juan Carlos; Toro Labbé, Alejandro; Politzer, Peter; Jaque Olmedo, Pablo César
- ItemIdentification of pseudodiatomic behavior in polyatomic bond dissociation: Reaction force analysis(2010) Murray, Jane S.; Toro Labbé, Alejandro; Gutiérrez Oliva, Soledad; Politzer, Peter
- ItemQuantitative analysis of molecular surfaces : areas, volumes, electrostatic potentials and average local ionization energies(2010) Bulat Jara, Felipe Alfonso; Toro Labbé, Alejandro; Brinck, Tore; Murray, Jane S.; Politzer, Peter
- ItemReaction Force Analysis of Solvent Effects in the Addition of HCl to Propene(2009) Burda, Jaroslav V.; Murray, Jane S.; Toro Labbé, Alejandro; Gutiérrez Oliva, Soledad; Politzer, Peter
- ItemReaction Force and Its Link to Diabatic Analysis : A Unifying Approach to Analyzing Chemical Reactions(2010) Politzer, Peter; Reimers, Jeffrey R.; Murray, Jane S.; Toro Labbé, Alejandro
- ItemReaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction(2008) Jaque Olmedo, Pablo César; Toro Labbé, Alejandro; Politzer, Peter; Geerlings, Paul
- ItemReaction force decomposition of activation barriers to elucidate solvent effects(2007) Burda, Jaroslav V.; Toro Labbé, Alejandro; Gutiérrez Oliva, Soledad; Murray, Jane S.; Politzer, Peter
- ItemThe reaction force : three key points along an intrinsic reaction coordinate(2005) Politzer, Peter; Toro Labbé, Alejandro; Gutiérrez Oliva, Soledad; Herrera Pisani, Bárbara Andrea; Jaque Olmedo, Pablo César; Concha, Mónica C.; Murray, Jane S.
- ItemThe reaction force and the transition region of a reaction(2009) Toro Labbé, Alejandro; Gutiérrez Oliva, Soledad; Murray, Jane S.; Politzer, Peter