TOLBATOV, Iogann
TOLBATOV, Iogann
SCIENZE CHIMICHE, FISICHE, MATEMATICHE E NATURALI
A database approach for materials selection for hydrogen storage in aerospace technology
2019-01-01 Coppola, Carla Maria; Tolbatov, Iogann; Tranca, Ionut Claudiu; Coletti, Cecilia; Marrone, Alessandro; Storchi, Loriano; Profio, Pietro Di; Re, Nazzareno; Kazandjian, Mher V.; Pellecchia, Antonello; Longo, Savino; Gaastra-Nedea, Silvia; Fernandez-Villace, Victor; Longo, José
A mixed-valence diruthenium(ii,iii) complex endowed with high stability: from experimental evidence to theoretical interpretation
2020-01-01 Barresi, Elisabetta; Tolbatov, Iogann; Pratesi, Alessandro; Notarstefano, Valentina; Baglini, Emma; Daniele, Simona; Taliani, Sabrina; Re, Nazzareno; Giorgini, Elisabetta; Martini, Claudia; Da Settimo, Federico; Marzo, Tiziano; La Mendola, Diego
An Insight on the Gold(I) Affinity of golB Protein via Multilevel Computational Approaches
2019-01-01 Tolbatov, I.; Re, N.; Coletti, C.; Marrone, A.
Anti-Staphylococcal Activity of the Auranofin Analogue Bearing Acetylcysteine in Place of the Thiosugar: An Experimental and Theoretical Investigation
2022-01-01 Chiaverini, Lorenzo; Pratesi, Alessandro; Cirri, Damiano; Nardinocchi, Arianna; Tolbatov, I; Marrone, Alessandro; Di Luca, Mariagrazia; Marzo, Tiziano; La Mendola, Diego
Atomic scale interfacial magnetism and origin of metal-insulator transition in (LaNiO$$_3$$)$$_n$$/(CaMnO$$_3$$)$$_m$$ superlattices: a first principles study
2023-01-01 Jilili, J.; Tolbatov, I.; Cossu, F.; Rahaman, A.; Fiser, B.; Kahaly, M. Upadhyay.
Auranofin Targeting the NDM-1 Beta-Lactamase: Computational Insights into the Electronic Configuration and Quasi-Tetrahedral Coordination of Gold Ions
2023-01-01 Tolbatov, Iogann; Marrone, Alessandro
Benchmarking density functionals and Gaussian basis sets for calculation of core-electron binding energies in amino acids
2017-01-01 Tolbatov, I; Chipman Daniel, M
Comparative study of Gaussian basis sets for calculation of core electron binding energies in first-row hydrides and glycine
2014-01-01 Tolbatov, Iogann; Chipman, Daniel M.
Computational investigations of bioinorganic complexes: The case of calcium, gold and platinum ions
2019-01-01 Paciotti, R.; Tolbatov, I.; Marrone, A.; Storchi, L.; Re, N.; Coletti, C.
Computational strategies to model the interaction and the reactivity of biologically-relevant transition metal complexes
2022-01-01 Tolbatov, Iogann; Marrone, Alessandro
Computational Studies of Au(I) and Au(III) Anticancer MetalLodrugs: A Survey
2021-01-01 Tolbatov, Iogann; Marrone, Alessandro; Coletti, Cecilia; Re, Nazzareno
Computational Studies Unveiling the Mechanism of Action of Selected Pt-, Te-, Au-, Rh-, Ru-Based Drugs
2023-01-01 Tolbatov, Iogann; Marrone, Alessandro
Computational study on the mechanism for the synthesis of the active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions
2024-01-01 Galeas, Dayana M; Tolbatov, Iogann; Colacino, Evelina; Maseras, Feliu
Detailed mechanism of DNA/RNA nucleobase substituting bridging ligand in diruthenium (II,III) and dirhodium (II,II) tetraacetato paddlewheel complexes: Protonation of the leaving acetate is crucial
2024-01-01 Tolbatov, Iogann; Marzo, Tiziano; Umari, Paolo; La Mendola, Diego; Marrone, Alessandro
Determinants of the Lead(II) Affinity in pbrR Protein: A Computational Study
2019-01-01 Tolbatov, Iogann; Re, Nazzareno; Coletti, Cecilia; Marrone, Alessandro
Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment
2024-01-01 Chiaverini, Lorenzo; Notarstefano, Valentina; Tolbatov, Iogann; Umari, Paolo; Giorgini, Elisabetta; Ciccone, Lidia; Di Leo, Riccardo; Trincavelli, Letizia; Giacomelli, Chiara; Marchetti, Laura; Marzo, Tiziano; La Mendola, Diego; Marrone, Alessandro
Diruthenium Paddlewheel Complexes Attacking Proteins: Axial Versus Equatorial Coordination
2024-01-01 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Diruthenium(ii,iii) paddlewheel complexes: effects of bridging and axial ligands on anticancer properties
2023-01-01 Tolbatov, Iogann; Barresi, Elisabetta; Taliani, Sabrina; La Mendola, Diego; Marzo, Tiziano; Marrone, Alessandro
Double addition of phenylacetylene onto the mixed bridge phosphinito–phosphanido Pt(i) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)](Pt–Pt)
2020-01-01 Todisco, Stefano; Latronico, Mario; Gallo, Vito; Re, Nazzareno; Marrone, Alessandro; Tolbatov, Iogann; Mastrorilli, Piero
Electron impact on N2/CH4 mixtures in He droplets—probing chemistry in Titan's atmosphere
2012-01-01 Ptasinska, Sylwia; Tolbatov, Iogann; Bartl, Peter; Yurkovich, James; Coffey, Benjamin; Chipman, Daniel M.; Leidlmair, Christian; Schöbel, Harald; Scheier, Paul; Mason, Nigel J.