Found: 78
Select item for more details and to access through your institution.
Efficient Synthesis, Structural Characterization, Antibacterial Assessment, ADME-Tox Analysis, Molecular Docking and Molecular Dynamics Simulations of New Functionalized Isoxazoles.
- Published in:
- Molecules, 2024, v. 29, n. 14, p. 3366, doi. 10.3390/molecules29143366
- By:
- Publication type:
- Article
New Schiff bases and their vanadium complexes: Synthesis, characterization, and biological assessment for antibacterial and antiviral action.
- Published in:
- Applied Organometallic Chemistry, 2024, v. 38, n. 7, p. 1, doi. 10.1002/aoc.7534
- By:
- Publication type:
- Article
Synthesis and structural characterization of nickel(II) coordination complexes with mixed-ligand systems: exploring π−π stacking and hydrogen bonding in supramolecular assemblies.
- Published in:
- Journal of the Iranian Chemical Society, 2024, v. 21, n. 6, p. 1723, doi. 10.1007/s13738-024-03034-6
- By:
- Publication type:
- Article
Synthesis, Crystal Structure, Computational Investigation of Vanillin Azine Derivative as Potent Blocker of the N‐Terminal Ras‐Binding Domain (RBD) in Human a‐Raf Kinase.
- Published in:
- ChemistrySelect, 2024, v. 9, n. 15, p. 1, doi. 10.1002/slct.202305179
- By:
- Publication type:
- Article
X-ray Crystal Structure, Hirshfeld Surface Analysis, DFT, and Anticancer Effect of 3-Hydroxy-6-phenyl-1,5-benzodiazepin-2-one Derivatives.
- Published in:
- Crystals (2073-4352), 2023, v. 13, n. 12, p. 1693, doi. 10.3390/cryst13121693
- By:
- Publication type:
- Article
An Unexpected Synthesis of Crowded Triphenylenes.
- Published in:
- European Journal of Organic Chemistry, 2023, v. 26, n. 42, p. 1, doi. 10.1002/ejoc.202300708
- By:
- Publication type:
- Article
X-ray Diffraction, Spectroscopy, Optical Properties, NPA, NBO, FMO, and Hirshfeld Surface Analyses of Two Newly Synthesized Piperidinium Ionic Liquids.
- Published in:
- Crystals (2073-4352), 2023, v. 13, n. 11, p. 1583, doi. 10.3390/cryst13111583
- By:
- Publication type:
- Article
Cu<sup>II</sup> Pyrazolyl‐Benzimidazole Dinuclear Complexes with Remarkable Antioxidant Activity.
- Published in:
- ChemBioChem, 2023, v. 24, n. 20, p. 1, doi. 10.1002/cbic.202300331
- By:
- Publication type:
- Article
Synthesis, structural characterization and Hirshfeld surface analysis of copper(I) complexes containing hemilabile-ferrocenylbisphosphine [Fe{C<sub>5</sub>H<sub>4</sub>P(C<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>NMe<sub>2</sub>-o)<sub>2</sub>}<sub>2</sub>].
- Published in:
- Indian Journal of Chemistry (0019-5103), 2023, v. 62, n. 10, p. 1081, doi. 10.56042/ijc.v62i10.6188
- By:
- Publication type:
- Article
Exploring the Efficacy of Benzimidazolone Derivative as Corrosion Inhibitors for Copper in a 3.5 wt.% NaCl Solution: A Comprehensive Experimental and Theoretical Investigation.
- Published in:
- Molecules, 2023, v. 28, n. 19, p. 6948, doi. 10.3390/molecules28196948
- By:
- Publication type:
- Article
Nanoarchitectonics and Molecular Docking of 4-(Dimethylamino)Pyridin-1-Ium 2-3 Methyl-4-Oxo-Pyri-Do[1,2- a ]Pyrimidine-3-Carboxylate.
- Published in:
- Crystals (2073-4352), 2023, v. 13, n. 9, p. 1333, doi. 10.3390/cryst13091333
- By:
- Publication type:
- Article
2,4,8,10-Tetra-tert-butyl-6-phenyldibenzo[d,g]-[1,3,6,2]dioxaselena-phosphocine Complexes: C–Se Bond Cleavage and Its Oxidative Addition to Form a Novel Octahedral Rhodium(III) Complex and Hirshfeld Analysis.
- Published in:
- Journal of Chemical Crystallography, 2023, v. 53, n. 3, p. 438, doi. 10.1007/s10870-023-00983-3
- By:
- Publication type:
- Article
2-(N -allylsulfamoyl)- N -propylbenzamide.
- Published in:
- Molbank, 2023, v. 2023, n. 3, p. M1678, doi. 10.3390/M1678
- By:
- Publication type:
- Article
Synthesis, Crystal Growth, and Computational Investigation of New Tetrahydroisoquinoline Derivatives Potent against Molecule Nitric Oxide Synthases.
- Published in:
- Crystals (2073-4352), 2023, v. 13, n. 8, p. 1161, doi. 10.3390/cryst13081161
- By:
- Publication type:
- Article
Synthesis, Structural Characterization and Hirshfeld Analysis of Ag(I), Au(I), Cd(II) and Hg(II) Complexes Containing Hemilabile- Ferrocenylbisphosphine [Fe{C<sub>5</sub>H<sub>4</sub>P(C<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>NMe<sub>2</sub>-o)<sub>2</sub>}<sub>2</sub>]
- Published in:
- Journal of Chemical Crystallography, 2023, v. 53, n. 2, p. 273, doi. 10.1007/s10870-022-00966-w
- By:
- Publication type:
- Article
Synthesis, Structural Characterization, Hirshfeld Analysis and AIM Analysis of 2,4,8,10-tetra-tert-butyl-6-phenyldibenzo[d,g][1,3,6,2]-dioxa-selenaphosphocine and its Oxide and Selenide Derivatives.
- Published in:
- Journal of Chemical Crystallography, 2023, v. 53, n. 2, p. 321, doi. 10.1007/s10870-022-00972-y
- By:
- Publication type:
- Article
Synthesis, X-ray Crystal Structure, Anticancer, Hirshfeld Surface Analysis, DFT, TD-DFT, ADMET, and Molecular Docking of 3-Phenyl-1,2,4-triazolo[3,4-h]-13,4-thiaza-11-crown-4.
- Published in:
- Molecules, 2023, v. 28, n. 7, p. 3166, doi. 10.3390/molecules28073166
- By:
- Publication type:
- Article
Insight into the Crystal Structures and Potential of Two Newly Synthesized Naproxen-Based Hydrazide Derivatives as Potent COX-2 Inhibitors.
- Published in:
- Applied Biochemistry & Biotechnology, 2022, v. 194, n. 12, p. 5781, doi. 10.1007/s12010-022-04077-2
- By:
- Publication type:
- Article
Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Bis-[(di(2-methoxyphenyl)phosphoroselenoyl)-2,4-cyclopentadien-1-yl]iron(II) and Ruthenium(II)η<sup>6</sup>-arene Complex of Bis-[(di(2-allylphenyl)phosphonite)-2,4-cyclopentadien-1-yl]iron(II)
- Published in:
- Journal of Chemical Crystallography, 2022, v. 52, n. 3, p. 359, doi. 10.1007/s10870-022-00933-5
- By:
- Publication type:
- Article
Synthesis, crystal structure investigation and computational approach to discover potential hydrazide derivatives as a potent inhibitor of cyclooxygenase‐2 enzyme.
- Published in:
- Journal of Biochemical & Molecular Toxicology, 2022, v. 36, n. 8, p. 1, doi. 10.1002/jbt.23082
- By:
- Publication type:
- Article
The Pursuit of Perphenylterphenyls.
- Published in:
- Chemistry - A European Journal, 2022, v. 28, n. 41, p. 1, doi. 10.1002/chem.202200931
- By:
- Publication type:
- Article
One‐step synthesis of novel N1‐substituted benzimidazole derivatives: Experimental and theoretical investigations.
- Published in:
- Journal of Heterocyclic Chemistry, 2022, v. 59, n. 7, p. 1213, doi. 10.1002/jhet.4461
- By:
- Publication type:
- Article
Synthesis, characterization and crystal structure of some novel partially hydrogenated isoquinolines and their fused heterocyclic systems.
- Published in:
- Journal of Heterocyclic Chemistry, 2022, v. 59, n. 7, p. 1230, doi. 10.1002/jhet.4462
- By:
- Publication type:
- Article
NEW IMIDAZO[4,5-B]PYRIDINE DERIVATIVES: SYNTHESIS, CRYSTAL STRUCTURES, HIRSHFELD SURFACE ANALYSIS, DFT COMPUTATIONS AND MONTE CARLO SIMULATIONS.
- Published in:
- Journal of Chemical Technology & Metallurgy, 2022, v. 57, n. 3, p. 451
- By:
- Publication type:
- Article
A new synthetic route for the preparation of 2,2′,5′‐trimethyl‐7‐oxo‐4,7‐dihydro‐[6,7′‐bipyrazolo[1,5‐a]pyrimidine]‐3,3′‐dicarbonitrile, structural elucidation, Hirshfeld surface analysis, energy framework, density functional theory and molecular docking investigations
- Published in:
- Journal of the Chinese Chemical Society, 2022, v. 69, n. 4, p. 717, doi. 10.1002/jccs.202100509
- By:
- Publication type:
- Article
An efficient diastereoselective synthesis of novel fused 5H-furo[2,3-d]thiazolo[3,2-a]pyrimidin-5-ones via one-pot three-component reaction.
- Published in:
- Molecular Diversity, 2022, v. 26, n. 1, p. 183, doi. 10.1007/s11030-020-10173-4
- By:
- Publication type:
- Article
Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C<sub>5</sub>H<sub>4</sub>P(C<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>NMe<sub>2</sub>‐o)<sub>2</sub>}<sub>2</sub>]
- Published in:
- Acta Crystallographica Section C: Structural Chemistry, 2021, v. 77, n. 11, p. 725, doi. 10.1107/S205322962101072X
- By:
- Publication type:
- Article
Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.
- Published in:
- Applied Biochemistry & Biotechnology, 2021, v. 193, n. 11, p. 3602, doi. 10.1007/s12010-021-03615-8
- By:
- Publication type:
- Article
Roles of Organic Fragments in Redirecting Crystal/Molecular Structures of Inorganic–Organic Hybrids Based on Lacunary Keggin-Type Polyoxometalates.
- Published in:
- Molecules, 2021, v. 26, n. 19, p. 5994, doi. 10.3390/molecules26195994
- By:
- Publication type:
- Article
Extremely Crowded Biaryls.
- Published in:
- European Journal of Organic Chemistry, 2021, v. 2021, n. 22, p. 3294, doi. 10.1002/ejoc.202100399
- By:
- Publication type:
- Article
Synthesis, structural elucidation, and antioxidant activity of new phenolic derivatives containing piperidine moiety: Experimental and theoretical investigations.
- Published in:
- Journal of Heterocyclic Chemistry, 2021, v. 58, n. 6, p. 1268, doi. 10.1002/jhet.4253
- By:
- Publication type:
- Article
Syntheses of novel 1,5‐benzodiazepine derivatives: Crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies, DFT calculations, corrosion inhibition anticipation, and antibacterial activities.
- Published in:
- Journal of Heterocyclic Chemistry, 2021, v. 58, n. 1, p. 270, doi. 10.1002/jhet.4167
- By:
- Publication type:
- Article
Synthesis and crystal structure of 2-azido-N-phenylacetamide, C<sub>8</sub>H<sub>8</sub>N<sub>4</sub>O.
- Published in:
- Zeitschrift für Kristallographie / New Crystal Structures, 2021, v. 236, n. 1, p. 133, doi. 10.1515/ncrs-2020-0409
- By:
- Publication type:
- Article
Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C<sub>22</sub>H<sub>26</sub>N<sub>2</sub>O.
- Published in:
- Zeitschrift für Kristallographie / New Crystal Structures, 2021, v. 236, n. 1, p. 173, doi. 10.1515/ncrs-2020-0404
- By:
- Publication type:
- Article
Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 5-Bromo-1-decyl-2,3-dihydro-1H- indolin-2-one.
- Published in:
- Journal of Chemical Crystallography, 2020, v. 50, n. 4, p. 330, doi. 10.1007/s10870-019-00802-8
- By:
- Publication type:
- Article
Synthesis and crystal structure of (E)-1-benzyl-3-(4-methoxystyryl)quinoxalin-2(1H)-one, C<sub>24</sub>H<sub>20</sub>N<sub>2</sub>O<sub>2</sub>.
- Published in:
- Zeitschrift für Kristallographie / New Crystal Structures, 2020, v. 235, n. 6, p. 1323, doi. 10.1515/ncrs-2020-0300
- By:
- Publication type:
- Article
Synthesis and crystal structure of 3-octyl-5,5-diphenylimidazolidine-2,4-dione, C<sub>23</sub>H<sub>28</sub>N<sub>2</sub>O<sub>2</sub>.
- Published in:
- Zeitschrift für Kristallographie / New Crystal Structures, 2020, v. 235, n. 6, p. 1425, doi. 10.1515/ncrs-2020-0347
- By:
- Publication type:
- Article
Synthesis and crystal structure of 2-azido-N-(4-nitrophenyl)acetamide, C<sub>8</sub>H<sub>7</sub>N<sub>5</sub>O<sub>3</sub>.
- Published in:
- Zeitschrift für Kristallographie / New Crystal Structures, 2020, v. 235, n. 6, p. 1429, doi. 10.1515/ncrs-2020-0348
- By:
- Publication type:
- Article
An inorganic–organic hybrid material based on a Keggin‐type polyoxometalate@Dysprosium as an effective and green catalyst in the synthesis of 2‐amino‐4H‐chromenes via multicomponent reactions.
- Published in:
- Applied Organometallic Chemistry, 2020, v. 34, n. 9, p. 1, doi. 10.1002/aoc.5793
- By:
- Publication type:
- Article
Cover Image.
- Published in:
- Applied Organometallic Chemistry, 2020, v. 34, n. 9, p. 1, doi. 10.1002/aoc.5964
- By:
- Publication type:
- Article
Crystal and molecular structure of [Ni{2‐H<sub>2</sub>NC(=O)C<sub>5</sub>H<sub>4</sub>N}<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>][Ni{2,6‐(O<sub>2</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>N}<sub>2</sub>]·4.67H<sub>2</sub>O; DFT studies on hydrogen bonding energies in the crystal
- Published in:
- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 4, p. 591, doi. 10.1107/S2052520620006472
- By:
- Publication type:
- Article
Versatile Coordination Modes of 2,6‐Bis(2‐(diphenylphosphanyl)‐1H‐imidazol‐1‐yl)pyridine in Cu(I) and Au(I) Complexes.
- Published in:
- European Journal of Inorganic Chemistry, 2020, v. 2020, n. 28, p. 2718, doi. 10.1002/ejic.202000520
- By:
- Publication type:
- Article
Synthesis and Structures of Polyphenylphenanthrenes.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 38, p. 8458, doi. 10.1002/chem.202001563
- By:
- Publication type:
- Article
A newly synthesized nitrogen‐rich derivative of bicyclic quinoxaline—Structural and conceptual DFT reactivity study.
- Published in:
- Journal of Physical Organic Chemistry, 2020, v. 33, n. 6, p. 1, doi. 10.1002/poc.4055
- By:
- Publication type:
- Article
Synthesis, Crystal Structure and Computational Investigation of New 4‐Phenyl‐decahydro‐1H‐1,5‐benzodiazepin‐2‐one as Potent Inhibitor of Mu‐opioid Receptor.
- Published in:
- ChemistrySelect, 2020, v. 5, n. 15, p. 4601, doi. 10.1002/slct.202000356
- By:
- Publication type:
- Article
A Simple, Serendipitous Synthesis of Heterohexahelicenes.
- Published in:
- European Journal of Organic Chemistry, 2019, v. 2019, n. 38, p. 6534, doi. 10.1002/ejoc.201901207
- By:
- Publication type:
- Article
An inorganic–organic hybrid supramolecular framework based on the γ‐[Mo<sub>8</sub>O<sub>26</sub>]<sup>4−</sup> cluster and cobalt complex of aspartic acid: X‐ray structure and DFT study.
- Published in:
- Acta Crystallographica Section C: Structural Chemistry, 2019, v. 75, n. 4, p. 469, doi. 10.1107/S2053229619004029
- By:
- Publication type:
- Article
Dodecaphenyltetracene.
- Published in:
- Angewandte Chemie, 2019, v. 131, n. 9, p. 2857, doi. 10.1002/ange.201812418
- By:
- Publication type:
- Article
Dodecaphenyltetracene.
- Published in:
- Angewandte Chemie International Edition, 2019, v. 58, n. 9, p. 2831, doi. 10.1002/anie.201812418
- By:
- Publication type:
- Article
Synthesis and antibacterial activity of new 1,2,3-triazolylmethyl-2H-1,4-benzothiazin-3(4H)-one derivatives.
- Published in:
- Chemistry Central Journal, 2018, v. 12, n. 1, p. 1, doi. 10.1186/s13065-018-0494-2
- By:
- Publication type:
- Article