Jose Manuel Garcia De La Vega
Universidad Autónoma de Madrid
69 papers found
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Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation
UploadAccurate atomic momentum integrals and Compton profiles
UploadSelf-interaction error in DFT-based modelling of ionic liquids
Download from pubs.rsc.orgComplexes of nitric oxide with water and imidazole
Download from kclpure.kcl.ac.ukAssessment of DFT functionals with fluorine–fluorine coupling constants
UploadIn silicoAntibacterial Activity Modeling Based on the TOMOCOMD-CARDD Approach
Download from doi.orgModeling EPR parameters of nitrogen containing conjugated radical cations
Download from doi.orgDynamics of the O + ClO Reaction: Reactive and Vibrational Relaxation Processes
UploadImprovements in DFT Calculations of Spin–Spin Coupling Constants
UploadNatural bond orbital/natural J-coupling study of vicinal couplings
UploadSingle-Sheeted Double Many-Body Expansion Potential Energy Surface for Ground-State ClO2
Download from www.researchgate.netElectron density analysis of 1-butyl-3-methylimidazolium chloride ionic liquid
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