| Towards bond selective chemistry from first principles: methane on metal surfaces XJ Shen, A Lozano, W Dong, HF Busnengo, XH Yan Physical Review Letters 112 (4), 046101, 2014 | 105 | 2014 |
| Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials A Lozano, B Escribano, E Akhmatskaya, J Carrasco Physical Chemistry Chemical Physics 19 (15), 10133-10139, 2017 | 51 | 2017 |
| Cutting a chemical bond with demon's scissors: Mode-and bond-selective reactivity of methane on metal surfaces A Lozano, XJ Shen, R Moiraghi, W Dong, HF Busnengo Surface Science 640, 25-35, 2015 | 51 | 2015 |
| Adsorption dynamics of H2 on Pd (100) from first principles A Lozano, A Gross, HF Busnengo Phys. Chem. Chem. Phys. 11 (27), 5814-5822, 2009 | 41 | 2009 |
| Nonthermalized precursor-mediated dissociative chemisorption at high catalysis temperatures R Moiraghi, A Lozano, E Peterson, A Utz, W Dong, HF Busnengo The Journal of Physical Chemistry Letters 11 (6), 2211-2218, 2020 | 36 | 2020 |
| Molecular dynamics study of H2 dissociation on H-covered Pd (100) A Lozano, A Groß, HF Busnengo Physical Review B 81 (12), 121402, 2010 | 33 | 2010 |
| Theoretical study of the dissociative adsorption of methane on Ir (111): The role of steps and surface distortions at high temperatures R Moiraghi, A Lozano, HF Busnengo The Journal of Physical Chemistry C 120 (7), 3946-3954, 2016 | 27 | 2016 |
| Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms S Sakong, C Mosch, A Lozano, HF Busnengo, A Groß ChemPhysChem 13 (15), 3467–3471, 2012 | 24 | 2012 |
| Revealing the Mechanism of Sodium Diffusion in NaxFePO4 Using an Improved Force Field MR Bonilla, A Lozano, B Escribano, J Carrasco, E Akhmatskaya The Journal of Physical Chemistry C 122 (15), 8065-8075, 2018 | 18 | 2018 |
| Enhancing sampling in atomistic simulations of solid-state materials for batteries: a focus on olivine NaFePO4 B Escribano, A Lozano, T Radivojević, M Fernández-Pendás, J Carrasco, ... Theoretical Chemistry Accounts 136 (4), 43, 2017 | 14 | 2017 |
| Enhancing sampling in atomistic simulations of solid-state materials for batteries: a focus on olivine . B Escribano, A Lozano, T Radivojević, M Fernández-Pendás, J Carrasco, ... Theoretical Chemistry Accounts: Theory, Computation, & Modeling 136 (4), 2017 | | 2017 |
| Inside Cover: Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms (ChemPhysChem 15/2012) S Sakong, C Mosch, A Lozano, HF Busnengo, A Groß ChemPhysChem 13 (15), 3410-3410, 2012 | | 2012 |
| A single vacancy is enough to spontaneously dissociate H2 on H-covered Pd (100) A Lozano, A Groß, HF Busnengo Phys. Rev. B 81, 121402R, 2010 | | 2010 |
| Supporting Information: Non-Thermalized Precursor-Mediated Dissociative Chemisorption at High Catalysis Temperatures R Moiraghi, A Lozano, E Peterson, A Utz, W Dong, HF Busnengo | | |
| Role of Polymorphism in the Electrochemical Behavior of Electrode Materials for Rechargeable Batteries: a First-Principles Perspective J Carrasco, NA Katcho, O Arcelus, A Lozano | | |
| Lowering barriers in surface reactions through concerted reaction mechanisms S Sakong, C Mosch, A Lozano, HF Busnengo, A Groß | | |
| First principles based modeling of prospective materials for Sodium-Ion batteries A Lozano, B Escribano, E Akhmatskaya, NA Katcho, J Carrasco 19th European Conference on Mathematics for Industry, 148, 0 | | |
| ADSORCIÓN DE METANO Y SUS ISOTOPÓLOGOS DEUTERADOS SOBRE Pt (111) A LOZANO, X SHEN, W DONG, HF BUSNENGO | | |
Heriberto Fabio BusnengoInstituto de Física RosarioVerified email at ifir-conicet.gov.ar
