| Bond-mediated electron tunneling in ruthenium-modified high-potential iron-sulfur protein E Babini, I Bertini, M Borsari, F Capozzi, C Luchinat, X Zhang, GL Moura, ... JOURNAL-AMERICAN CHEMICAL SOCIETY 122 (18), 4532-4533, 2000 | 75 | 2000 |
| Mesoionic rings as efficient asymmetric bridges for the design of compounds with large optical nonlinearities GLC Moura, AM Simas, J Miller Chemical physics letters 257 (5-6), 639-646, 1996 | 73 | 1996 |
| Mesoionic 2-n-cycloalkylamino-5-alkyl-1, 3-dithiolium-4-thiolates MB De Oliveira, J Miller, AB Pereira, SE Galembeck, GLC De Moura, ... Phosphorus, Sulfur, and Silicon and the Related Elements 108 (1-4), 75-84, 1996 | 53 | 1996 |
| Two-photon absorption by fluorene derivatives: Systematic molecular design GLC Moura, AM Simas The Journal of Physical Chemistry C 114 (13), 6106-6116, 2010 | 32 | 2010 |
| 1, 3-Thiazolium-5-thiolates mesoionic compounds: Semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples BF Lyra, SA Morais, GB Rocha, J Miller, GLC Moura, AM Simas, C Peppe, ... Journal of the Brazilian Chemical Society 21 (5), 934-940, 2010 | 27 | 2010 |
| Synthesis and two-photon absorption spectrum of fluorenone-based molecules J Dipold, R Batista, RD Fonseca, DL Silva, GLC Moura, JV dos Anjos, ... Chemical Physics Letters 661, 143-150, 2016 | 13 | 2016 |
| Two-photon absorption cross-sections from electronic structure methods: Mesoionic compounds GLC Moura, AM Simas Chemistry of Materials 20 (12), 4142-4155, 2008 | 12 | 2008 |
| Insights into the spontaneity of hydrogen bond formation between formic acid and phthalimide derivatives RVA Júnior, GLC Moura, NBD Lima Journal of molecular modeling 22, 1-9, 2016 | 8 | 2016 |
| Non-symmetrical 1, 3, 4-oxadiazole derivatives: Synthesis, characterization, and computational study of their optical properties MSS Oliveira, ABS Santos, TVB Ferraz, GLC Moura, EHL Falcão Chemical Physics Impact 6, 100162, 2023 | 6 | 2023 |
| Effect of 1, 10-phenanthroline aromaticity in carboxylic acids: 1H NMR spectroscopy, GIAO calculations and thermodynamic properties CMB Machado, VFC Santos, MKDL Belarmino, JAA França, GLC Moura, ... Journal of Molecular Structure 1118, 279-287, 2016 | 6 | 2016 |
| Molecular modeling of the octacoordinated tetracarbonato-Nd (III),[Nd (CO3) 4] 5−, complex and its nonacoordinated fluoro-and aquo-adducts SP Sinha, AM Simas, GLC Moura Journal of Rare Earths 28 (6), 847-853, 2010 | 3 | 2010 |
| Comparison between the theoretical models and experimental structures of some octacoordinated Ln (III)-bis-dipyridyl-bis-dichloroacetato-diaquo complexes and their … SP SINHA, AM SIMAS, GLC MOURA Journal of Rare Earths 28, 83-85, 2010 | 1 | 2010 |
| Effects of crystal lattice and counterions on the geometries of metal complexes: Hexaaquomagnesium cation as a case study AJ Nascimento Jr, GLC Moura, NBD Lima, AM Simas Journal of Molecular Structure 1134, 458-463, 2017 | | 2017 |
| Quantum molecular mechanics—a noniterative procedure for the fast Ab Initio calculation of closed shell systems GLC Moura, AM Simas Journal of Computational Chemistry 33 (9), 958-969, 2012 | | 2012 |
| Electronic structures of polypyridyl Ruthenium-oxo complexes and of their reduced forms GLC Moura, WF De Giovani, SE Galembeck | | 1997 |
| Mesoionic 2-N-cycloalkylamino-5-alkyl-1, 3-dithiolium-4-thiolates J Miller, MB Oliveira, AB Pereira, SE Galembeck, GLC Moura, AM Simas Phosphorus, Sulfur Silicon Relat. Elem 108, 75-84, 1996 | | 1996 |
| Modelagem Molecular De Estruturas Mesoionicas Com Propriedades Opticas Nao-Lineares GLC Moura, AM Simas, J Miller Anais da Academia Brasileira de Ciencias 67 (3), 398-398, 1995 | | 1995 |
| Hydrogen-bonded complexes of α, β-unsaturated carboxylic esters with phenols: a molecular mechanics study JBP da Silva, GLC Moura, MN Ramos, JJC Teixeira-Dias, R Fausto Journal of molecular structure 317 (1-2), 157-164, 1994 | | 1994 |
| COMPOSTOS MESOIONICOS: UM DESAFIO PARA CALCULOS TEORICOS AM Simas, GLC Moura, J Miller, KK Cheung Anais da Academia Brasileira de Ciencias 66 (3), 395, 1994 | | 1994 |
| Determinacao de especie ativa em diaqua complexos polipiridinicos de'RU' GLC Moura, M Navarro, WF De Giovani, JR Romero, SE Galembeck Resumos, 1993 | | 1993 |
ALFREDO MAYALL SIMASUniversidade Federal de PernambucoVerified email at ufpe.br
