| Artigos (46) |
| 2026, Synthesis, spectroscopy, density functional theory study and biological activity of [Cu(phen)(L-arg)Cl]Cl·2.5H2O,
ISSN: 20452322
|
| 2026, Experimental and computational analyses for elucidation of structural, electronic, thermal, and vibrational properties of ethionamide crystal,
ISSN: 20452322
|
| 2025, Antitumor neodymium(III) complex with 1,10-phenanthroline and nitrate ligands: A comprehensive experimental-theoretical study, in silico pharmacokinetic and cytotoxic properties,
ISSN: 00222860
|
| 2025, Molecular spectroscopy, solvent effect, and DFT studies of azithromycin solvate,
ISSN: 13861425
|
| 2025, Thermodynamic and Structural Characterization of a Mechanochemically Synthesized Pyrazinamide-Acetylsalicylic-Acid Eutectic Mixture,
ISSN: 14248247
|
| 2025, Exploring the Potential of a New Nickel(II):Phenanthroline Complex with L-isoleucine as an Antitumor Agent: Design, Crystal Structure, Spectroscopic Characterization, and Theoretical Insights,
ISSN: 14203049
|
| 2025, Optical Properties of Sarcosine Crystal Under Hydrostatic Pressure: A DFT-based Computational Study,
ISSN: 14639076
|
| 2025, Preparation and characterization of a secnidazole-mandelic acid coamorphous system: enhanced dissolution profile, antibacterial properties, and theoretical druglikeness assessment,
ISSN: 09280987
|
| 2025, Unveiling the therapeutic potential of a Cu(II) complex with 1,10-phenanthroline and maleic acid: physicochemical characterization, DFT analysis, in silico pharmacokinetics, and evaluation of antitumor and antibacterial properties,
ISSN: 03785173
|
| 2025, A new polymorph of behenic acid (Bm) as a promising lipid matrix for controlled drug release: structure determination from synchrotron XRD and vibrational analysis supported by theoretical calculations,
ISSN: 00222860
|
| 2025, Synthesis, physical-chemical properties, DFT calculations, molecular docking, and antibacterial profile of copper crystals complexed with 1,10-phenanthroline and L-asparagine,
ISSN: 01677322
|
| 2024, Synthesis, electronic and vibrational properties, solvation effects, ADME and cytotoxic assay of aqua-(1,10-phenanthroline)-tyrosinato-copper(II) nitrate dihydrate complex: experimental and theoretical studies,
ISSN: 00222461
|
| 2024, Structural and spectroscopic properties, solvation effects, intermolecular interactions, and biological assays of a Mn(II)-complex with 1,10-phenanthroline and chloro ligands,
ISSN: 09242031
|
| 2024, Dichloro-bis(theophylline)-copper(II) complex: Characterization of the physicochemical, computational pharmacokinetics, molecular docking, and cytotoxicity as potential antitumoral medicine,
ISSN: 02775387
|
| 2024, Tutton salt (NH4)2Zn(SO4)2(H2O)6: thermostructural, spectroscopic, Hirshfeld surface, and DFT investigations,
ISSN: 16102940
|
| 2024, A DFT study of the effect of hydrostatic pressure on the structure and electronic properties of sarcosine crystal,
ISSN: 16102940
|
| 2024, Exploring Thermal Stability, Vibrational Properties, and Biological Assessments of Dichloro( -histidine)copper(II): A Combined Theoretical and Experimental Study,
ISSN: 24701343
|
| 2024, Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine,
ISSN: 24058440
|
| 2024, Ascorbic Acid, Ascorbate, and Dehydroascorbic Acid as Green Corrosion Inhibitors: A Computational Investigation,
ISSN: 26245558
|
| 2024, A new coamorphous ethionamide with enhanced solubility: Preparation, characterization, in silico pharmacokinetics, and controlled release by encapsulation,
ISSN: 03785173
|
| 2024, Preparation and Characterization of a Rifampicin Coamorphous Material with Tromethamine Coformer: An Experimental-Theoretical Study,
ISSN: 15438392
|
| 2024, Antibacterial [Zn(nicotinamide)2Cl2] complex for the treatment of skin conditions: An experimental-theoretical study of physicochemical, microbiological and in silico pharmacokinetic properties,
ISSN: 01677322
|
| 2023, Theoretical and Experimental Spectroscopic Study on 2-Chloro-3-(substitutedphenylamino)-1,4-naphthoquinone Derivatives,
ISSN: 01035053
|
| 2023, Synthesis, characterization, DFT study, and antibacterial activity of a coordination complex of Cu(II) with 1,10-phenanthroline and L-methionine ligands,
ISSN: 00222860
|
| 2023, Synthesis, physicochemical properties, and antitumor cytotoxic activity of the Mg (II) coordination complex containing 1,10-phenanthroline and sulfate ligands,
ISSN: 00201693
|
| 2023, Assessing the Novel Mixed Tutton Salts K2Mn0.03Ni0.97(SO4)2(H2O)6 and K2Mn0.18Cu0.82(SO4)2(H2O)6 for Thermochemical Heat Storage Applications: An Experimental-Theoretical Study,
ISSN: 14203049
|
| 2022, Structural, thermal, vibrational, solubility and DFT studies of a tolbutamide co-amorphous drug delivery system for treatment of diabetes,
ISSN: 03785173
|
| 2022, Supramolecular dimers drive the reaction between CO2 and alkanolamines towards carbonate formation,
ISSN: 22129820
|
| 2022, Synthesis, characterization, and thermal and computational investigations of the l-histidine bis(fluoride) crystal,
ISSN: 16102940
|
| 2022, Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts,
ISSN: 16102940
|
| 2022, Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1-xZnx(SO4)2(H2O)6 Tutton salt,
ISSN: 16102940
|
| 2021, DFT, Molecular Docking, and ADME/Tox Screening Investigations of Market-Available Drugs against SARS-CoV-2,
ISSN: 01035053
|
| 2021, Bioactivity and molecular properties of Phenoxyacetic Acids Derived from Eugenol and Guaiacol compared to the herbicide 2,4-D,
ISSN: 00013765
|
| 2020, Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4?-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester,
ISSN: 01035053
|
| 2020, Acid-Catalyzed Z-E Isomerization of γ-Alkylidenebutenolides: An Experimental and DFT Study,
ISSN: 01035053
|
| 2018, Semisynthetic Phenol Derivatives Obtained from Natural Phenols: Antimicrobial Activity and Molecular Properties,
ISSN: 00218561
|
| 2018, Computational and Experimental Investigations of the Role of Water and Alcohols in the Desorption of Heterocyclic Aromatic Compounds from Kaolinite in Toluene,
ISSN: 19327447
|
| 2017, Natural polyprenylated benzophenone: keto-enol tautomerism from density functional calculations and the AIM theory,
ISSN: 16102940
|
| 2017, Adsorption of the herbicides diquat and difenzoquat on polyurethane foam: Kinetic, equilibrium and computational studies,
ISSN: 01476513
|
| 2016, Evaluation of some density functional methods for the estimation of hydrogen and carbon chemical shifts of phosphoramidates,
ISSN: 2210271X
|
| 2015, Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies,
ISSN: 14770520
|
| 2015, Modeling, kinetic, and equilibrium characterization of paraquat adsorption onto polyurethane foam using the ion-pairing technique,
ISSN: 03014797
|
| 2015, Adsorption of Bitumen Model Compounds on Kaolinite in Liquid and Supercritical Carbon Dioxide Solvents: A Study by Periodic Density Functional Theory and Molecular Theory of Solvation,
ISSN: 08870624
|
| 2013, Tautomerism in Quinoxalines Derived from the 1,4-Naphthoquinone Nucleus: Acid Mediated Synthesis, X-ray Molecular Structure of 5-Chlorobenzo[ f ]quinoxalin-6-ol and Density Functional Theory Calculations,
ISSN: 01035053
|
| 2013, Voltammetric and Theoretical Study of the Redox Properties of Rubrolide Analogues,
ISSN: 00134686
|
| 2012, Synthesis of Rubrolide Analogues as New Inhibitors of the Photosynthetic Electron Transport Chain,
ISSN: 00218561
|
