| Connecting structural, optical, and electronic properties and photocatalytic activity of Ag3PO4: Mo complemented by DFT calculations AB Trench, TR Machado, AF Gouveia, M Assis, LG da Trindade, C Santos, ... Applied Catalysis B: Environmental 238, 198-211, 2018 | 60 | 2018 |
| A theoretical study of the reaction between cyclopentadiene and protonated imine derivatives: A shift from a concerted to a stepwise molecular mechanism LR Domingo, M Oliva, J Andrés The Journal of Organic Chemistry 66 (18), 6151-6157, 2001 | 56 | 2001 |
| A theoretical study of the catalytic mechanism of formate dehydrogenase R Castillo, M Oliva, S Marti, V Moliner The Journal of Physical Chemistry B 112 (32), 10012-10022, 2008 | 55 | 2008 |
| Understanding the acylation mechanisms of active‐site serine penicillin‐recognizing proteins: A molecular dynamics simulation study M Oliva, O Dideberg, MJ Field Proteins: Structure, Function, and Bioinformatics: Structure, Function, and …, 2003 | 50 | 2003 |
| Photochemical and electrochemical strategies towards benzylic C− H functionalization: a recent update M Oliva, GA Coppola, EV Van der Eycken, UK Sharma Advanced Synthesis & Catalysis 363 (7), 1810-1834, 2021 | 47 | 2021 |
| Ag Nanoparticles/α-Ag2WO4 Composite Formed by Electron Beam and Femtosecond Irradiation as Potent Antifungal and Antitumor Agents M Assis, T Robeldo, CC Foggi, AM Kubo, G Mínguez-Vega, E Condoncillo, ... Scientific Reports 9 (1), 9927, 2019 | 42 | 2019 |
| Density functional study of the 5-methylcytosine tautomers JR Sambrano, AR de Souza, JJ Queralt, M Oliva, J Andrés Chemical Physics 264 (3), 333-340, 2001 | 39 | 2001 |
| Do dynamic effects play a significant role in enzymatic catalysis? A theoretical analysis of formate dehydrogenase M Roca, M Oliva, R Castillo, V Moliner, I Tuñón Chemistry–A European Journal 16 (37), 11399-11411, 2010 | 36 | 2010 |
| Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods PB Coto, S Martí, M Oliva, M Olivucci, M Merchan, J Andrés The Journal of Physical Chemistry B 112 (24), 7153-7156, 2008 | 36 | 2008 |
| Transition state structure invariance to model system size and calculation levels: a QM/MM study of the carboxylation step catalyzed by Rubisco V Moliner, J Andres, M Oliva, VS Safont, O Tapia Theoretical Chemistry Accounts 101, 228-233, 1999 | 34 | 1999 |
| On the outside looking in: rethinking the molecular mechanism of 1, 3-dipolar cycloadditions from the perspective of bonding evolution theory. The reaction between cyclic … AI Adjieufack, IM Ndassa, I Patouossa, JK Mbadcam, VS Safont, M Oliva, ... Physical Chemistry Chemical Physics 19 (28), 18288-18302, 2017 | 28 | 2017 |
| Binding analysis of some classical acetylcholinesterase inhibitors: insights for a rational design using free energy perturbation method calculations with QM/MM MD simulations ECM Nascimento, M Oliva, K Świderek, JBL Martins, J Andres Journal of Chemical Information and Modeling 57 (4), 958-976, 2017 | 27 | 2017 |
| A Theoretical Study of the Favorskii Rearrangement. Calculation of Gas-Phase Reaction Paths and Solvation Effects on the Molecular Mechanism for the Transposition of the α … V Moliner, R Castillo, VS Safont, M Oliva, S Bohn, I Tunon, J Andrés Journal of the American Chemical Society 119 (8), 1941-1947, 1997 | 27 | 1997 |
| Modeling the decomposition mechanism of artemisinin P Moles, M Oliva, VS Safont The Journal of Physical Chemistry A 110 (22), 7144-7158, 2006 | 26 | 2006 |
| Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO 3: Eu 3+ MC Oliveira, RAP Ribeiro, L Gracia, SR de Lazaro, M de Assis, M Oliva, ... CrystEngComm 20 (37), 5519-5530, 2018 | 23 | 2018 |
| Diastereoselectivity of the reactions of organolithium reagents with protected erythrulose oximes JA Marco, M Carda, J Murga, S Rodrı́guez, E Falomir, M Oliva Tetrahedron: Asymmetry 9 (10), 1679-1701, 1998 | 23 | 1998 |
| A theoretical study of addition of organomagnesium reagents to chiral α-alkoxy carbonyl compounds VS Safont, V Moliner, M Oliva, R Castillo, J Andrés, F González, M Carda The Journal of Organic Chemistry 61 (10), 3467-3475, 1996 | 21 | 1996 |
| Unlocking the accessibility of Alkyl radicals from boronic acids through solvent-assisted organophotoredox activation P Ranjan, S Pillitteri, G Coppola, M Oliva, EV Van der Eycken, UK Sharma Acs Catalysis 11 (17), 10862-10870, 2021 | 19 | 2021 |
| Transition structures of carbon dioxide fixation, hydration and C2 inversion for a model of Rubisco catalyzed reaction VS Safont, M Oliva, J Andres, O Tapia Chemical physics letters 278 (4-6), 291-296, 1997 | 19 | 1997 |
| Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid R Contreras, M Galván, M Oliva, VS Safont, J Andrés, D Guerra, A Aizman Chemical Physics Letters 457 (1-3), 216-221, 2008 | 18 | 2008 |
Vicent Sixte Safont VillarrealUniversitat Jaume I, Castelló, SpainCorreu electrònic verificat a uji.es
