Ушбу иш иқтибос қилган ишлар

61 та иш

Иш: Fluorescence Properties of (E)-4-((2-fluorobenzylidene) amino) Benzenesulfonamide: Synthesis, Spectroscopic, Cyclic Voltammetry, Antibacterial, and Molecular Docking Studies

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Мақола2011110 иқтибос
ABI
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
Garrett M. Morris, Ruth Huey, William Lindstrom +4
Мақола200912 иқтибос
ABI
Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis
Аleksandr S. Kazachenko, Noureddine Issaoui, Abir Sagaama +7
Мақола20229 иқтибос
ABI
Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations
Michał H. Jamróz
Мақола20138 иқтибос
ABI
Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**
Tian Lu, Qinxue Chen
Мақола20217 иқтибос
ABI
Spectroscopic and quantum chemical computation on molecular structure, AIM, ELF, RDG, NCI, and NLO activity of 4-VINYL benzoic acid: A DFT approach
R. Sukanya, D. Aruldhas, I. Hubert Joe +1
Мақола20217 иқтибос
ABI
Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one
S. Sangeetha Margreat, S. Ramalingam, Helmi Mohammed Al‐Maqtari +4
Мақола20215 иқтибос
ABI
Eco-friendly synthesis, characterization, in-silico ADMET and molecular docking analysis of novel carbazole derivatives as antibacterial and antifungal agents
Oussama Merzouki, N. Arrousse, Azeddin El Barnossi +5
Мақола20224 иқтибос
ABI
Discovery of sulfadrug–pyrrole conjugates as carbonic anhydrase and acetylcholinesterase inhibitors
Mehmet Gümüş, Şemsi N. Babacan, Yeliz Demir +3
Мақола20214 иқтибос
ABI
Speculative assessment, molecular composition, PDOS, topology exploration (ELF, LOL, RDG), ligand-protein interactions, on 5-bromo-3-nitropyridine-2-carbonitrile
K. Arulaabaranam, S. Muthu, G. Mani +1
Мақола20214 иқтибос
ABI
A combined experimental and quantum chemical study on molecular structure, spectroscopic properties and biological activity of anti-inflammatory Glucocorticosteroid drug, Dexamethasone
S. J. Soumya, I. Hubert Joe
Мақола20214 иқтибос
ABI
Molecular structure, spectral studies, NBO, HOMO–LUMO profile, MEP and Mulliken analysis of 3β,6β-dichloro-5α-hydroxy-5α–cholestane
Mahboob Alam, Soonheum Park
Мақола20184 иқтибос
ABI
Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol
Zeynep Demi̇rci̇oğlu, Çiğdem Albayrak Kaştaş, Orhan Büyükgüngör
Мақола20154 иқтибос
ABI
Synthesis, spectroscopic characterization (FT-IR, NMR) and DFT computational studies of new isoxazoline derived from acridone
Mohammed Aarjane, Siham Slassi, Adib Ghaleb +1
Мақола20214 иқтибос
ABI
DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
Benjamin Meyer, Senja Barthel, Amber Mace +4
Мақола20193 иқтибос
ABI
Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO–LUMO energy, Mulliken charge and thermodynamic analysis of N′-hydroxy-pyrimidine-2-carboximidamide by DFT approach
N.J. Jasmine, P.T. Muthiah, C. Arunagiri +1
Мақола20153 иқтибос
ABI
Molecular structure, vibrational spectroscopic, NBO, HOMO–LUMO and Mulliken analysis of 4-methyl-3-nitro benzyl chloride
M. Arivazhagan, R. Kavitha
Мақола20113 иқтибос
ABI
Crystal structure, spectroscopic studies, DFT calculations, cyclic voltammetry and biological activity of a copper (II) Schiff base complex
Wafa Benabid, Kamel Ouari, Sabrina Bendia +2
Мақола20193 иқтибос
ABI
Synthesis, characterization and investigation of antibacterial and antifungal activities of novel 1,3-butadiene compounds
Gökşin Aydınlı, Yasemin Özdamar, Cigdem Sayil +5
Мақола20203 иқтибос
ABI
Synthesis, single crystal (XRD), Hirshfeld surface analysis, computational study (DFT) and molecular docking studies of (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-(pyrimidine)-2-yl) benzenesulfonamide
N. Elangovan, S. Sowrirajan
Мақола20213 иқтибос
ABI
(E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV–Vis), Computational (DFT, HOMO–LUMO, MEP, NBO, NPA, ELF, LOL, RDG) and Molecular Docking Studies
S. Sowrirajan, N. Elangovan, G. Ajithkumar +1
Мақола20223 иқтибос
ABI
Synthesis, spectroscopic (13C/1H-NMR, FT-IR) investigations, quantum chemical modelling (FMO, MEP, NBO analysis), and antioxidant activity of the bis-benzimidazole molecule
Amine Ouaket, Anas Chraka, Ihssane Raissouni +3
Мақола20223 иқтибос
ABI
Theoretical structural analysis (FT-IR, FT-R), solvent effect on electronic parameters NLO, FMO, NBO, MEP, UV (IEFPCM model), Fukui function evaluation with pharmacological analysis on methyl nicotinate
M. Vennila, R. Rathikha, S. Muthu +2
Мақола20223 иқтибос
ABI
Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives
Sheryl Cherian Parakkal, Riya Datta, S. Muthu +2
Мақола20233 иқтибос
ABI
Synthesis, spectroscopic characterization (FT-IR, Raman, UV-VIS, XRD), DFT studies and DNA binding properties of [Ni(C6H5CH2COO)(C12H8N2)2](ClO4)(CH3OH) compound
Gökhan Dıkmen, İbrahim Kani
Мақола20203 иқтибос
ABI