| The nature of Ru–NO bonds in ruthenium tetraazamacrocycle nitrosyl complexes—a computational study GF Caramori, AG Kunitz, KF Andriani, FG Doro, G Frenking, E Tfouni Dalton Transactions 41 (24), 7327-7339, 2012 | 48 | 2012 |
| Synthesis and solvatochromism of substituted 4-(nitrostyryl) phenolate dyes RI Stock, LG Nandi, CR Nicoleti, ADS Schramm, SL Meller, RS Heying, ... The Journal of Organic Chemistry 80 (16), 7971-7983, 2015 | 47 | 2015 |
| Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis KF Andriani, J Mucelini, JLF Da Silva Fuel 275, 117790, 2020 | 31 | 2020 |
| A ruthenium polypyridyl complex with the antihypertensive drug valsartan: Synthesis, theoretical calculations and interaction studies with human serum albumin RS de Oliveira, EF Boffo, FCC Reis, S Nikolaou, KF Andriani, ... Polyhedron 114, 232-241, 2016 | 30 | 2016 |
| Improving the stability and efficiency of perovskite solar cells by a bidentate anilinium salt L Scalon, R Szostak, FL Araújo, KF Adriani, JFRV Silveira, WXC Oliveira, ... JACS Au 2 (6), 1306-1312, 2022 | 28 | 2022 |
| Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio H Brasil, AFB Bittencourt, KCES Yokoo, PCD Mendes, LG Verga, ... Journal of Catalysis 404, 802-813, 2021 | 28 | 2021 |
| Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k-means Clustering Algorithm F Orlando Morais, KF Andriani, JLF Da Silva Journal of Chemical Information and Modeling 61 (7), 3411-3420, 2021 | 28 | 2021 |
| Ru–NO and Ru–NO 2 bonding linkage isomerism in cis-[Ru (NO)(NO)(bpy) 2] 2+/+ complexes–a theoretical insight KF Andriani, GF Caramori, FG Doro, RLT Parreira Dalton Transactions 43 (23), 8792-8804, 2014 | 24 | 2014 |
| Ab initio investigation of the role of the d-states occupation on the adsorption properties of H 2, CO, CH 4 and CH 3 OH on the Fe 13, Co 13, Ni 13 and Cu 13 clusters P Felício-Sousa, KF Andriani, JLF Da Silva Physical Chemistry Chemical Physics 23 (14), 8739-8751, 2021 | 23 | 2021 |
| In vivo and in silico anti-inflammatory mechanism of action of the semisynthetic (−)-cubebin derivatives (−)-hinokinin and (−)-O-benzylcubebin TC Lima, R Lucarini, AC Volpe, CQJ de Andrade, AMP Souza, ... Bioorganic & Medicinal Chemistry Letters 27 (2), 176-179, 2017 | 21 | 2017 |
| A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO 2) 6 cluster MS Ozorio, KF Andriani, JLF Da Silva Physical Chemistry Chemical Physics 22 (25), 14099-14108, 2020 | 13 | 2020 |
| Ab initio insights into the structural, energetic, electronic, and stability properties of mixed Ce n Zr 15− n O 30 nanoclusters P Felício-Sousa, J Mucelini, L Zibordi-Besse, KF Andriani, Y Seminovski, ... Physical Chemistry Chemical Physics 21 (48), 26637-26646, 2019 | 13 | 2019 |
| Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface PIR Moraes, AFB Bittencourt, KF Andriani, JLF Da Silva The Journal of Physical Chemistry C 127 (33), 16357-16366, 2023 | 10 | 2023 |
| Role of quantum-size effects in the dehydrogenation of CH 4 on 3d TM n clusters: DFT calculations combined with data mining KF Andriani, P Felício-Sousa, FO Morais, JLF Da Silva Catalysis Science & Technology 12 (3), 916-926, 2022 | 10 | 2022 |
| The influence of L ligands on the {RuNO} 6/7 bonding situation in cis-[Ru (NO)(NO 2) L 1–4] q complexes: a theoretical insight KF Andriani, GF Caramori, A Muñoz-Castro, FG Doro RSC Advances 5 (85), 69057-69066, 2015 | 10 | 2015 |
| Understanding the interplay between π–π and cation–π interactions in [janusene–Ag]+ host–guest systems: a computational approach J Mucelini, I Østrøm, AO Ortolan, KF Andriani, GF Caramori, RLT Parreira, ... Dalton Transactions 48 (35), 13281-13292, 2019 | 9 | 2019 |
| Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster CST Peraça, KF Andriani, MJ Piotrowski, JLF Da Silva The Journal of Physical Chemistry C 126 (29), 11937-11948, 2022 | 7 | 2022 |
| Shedding Light on the Hydrolysis Mechanism of cis, trans-[Ru(dmso)4Cl2] Complexes and Their Interactions with DNA—A Computational Perspective KF Andriani, G Heinzelmann, GF Caramori The Journal of Physical Chemistry B 123 (2), 457-467, 2018 | 7 | 2018 |
| A ruthenium nitrosyl cyclam complex with appended anthracenyl fluorophore RG de Souza Gois, EF Boffo, JCT Júnior, KF Andriani, GF Caramori, ... Polyhedron 173, 114117, 2019 | 3 | 2019 |
| Estudo teórico da interação {RuNO} n em nitrosilo complexos de rutênio como potenciais liberadores de óxido nítrico KF Andriani dissertação]. Florianópolis: Centro de Ciências Físicas e Matemáticas da …, 2013 | 2 | 2013 |
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilVerified email at iqsc.usp.br