Ушбу иш иқтибос қилган ишлар

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Иш: Solvents and their influence on electronic properties in IEFPCM solvation model, anticancer activity, and docking studies on (E)-2-((4-chlorobenzylidene) amino)phenol

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Мақола2011110 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
Solvent role in molecular structure level, structural and topology investigations, molecular docking and antimicrobial activity studies on sulpha drug derivative
N. Elangovan, Natarajan Arumugam
Мақола20245 иқтибос
ABI
Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches
Necmi Dege, Halil Gökçe, Onur Erman Doĝan +4
Мақола20224 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
Structural insights, spectral, flourescence, Z-scan, C-H…O/N-H…O hydrogen bonding and AIM, RDG, ELF, LOL, FUKUI analysis, NLO activity of N-2(Methoxy phenyl) acetamide
M. Jini Pramila, D. Arul Dhas, I. Hubert Joe +2
Мақола20224 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
Synthesis, solvent role (water and DMSO), antimicrobial activity, reactivity analysis, inter and intramolecular charge transfer, topology, and molecular docking studies on adenine derivative
N. Elangovan, S. Sowrirajan, Natarajan Arumugam +3
Мақола20233 иқтибос
ABI
RETRACTED: Synthesis, solvent role, absorption and emission studies of cytosine derivative
N. Elangovan, Natarajan Arumugam, Abdulrahman I. Almansour +4
Мақола20243 иқтибос
ABI
Structural, Spectral, Pharmacokinetics Analysis (in-Silico), Drug-Likeness, NCI Analysis (ELF, LOL, IRI & DORI) & Molecular Docking Computations of 2-Hydroxy 2-Phenyl Acetophenone a DFT Approaches
S. Mallika, N. Thirughanasambantham, B.K. Revathi +3
Мақола20243 иқтибос
ABI
Synthesis and spectral characterization of some metal complexes with new heterocyclic azo imidazole dye ligand and study biological activity as anticancer
Dunya Yousif Fnfoon, Khalid J. Al-Adilee
Мақола20222 иқтибос
ABI
Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Halil Gökçe, Fatih Şen, Yusuf Sert +3
Мақола20222 иқтибос
ABI
Synthesis, structural investigation, computational study, antimicrobial activity and molecular docking studies of novel synthesized (E)-4-((pyridine-4-ylmethylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide from pyridine-4-carboxaldehyde and sulfadiazine
N. Elangovan, S. Sowrirajan, K. Manoj +1
Мақола20212 иқтибос
ABI
Synthesis, characterization and self-assembly of new cholesteryl-substitued sym-tetrazine: Fluorescence, gelation and mesogenic properties
Amerah Alsoliemy, Abdulmajeed F. Alrefaei, Samah J. Almehmadi +4
Мақола20212 иқтибос
ABI
Synthesis and characterization of the fluorescence utility of two Visible-Light-Absorbing tryptophan derivatives
Robert J. Micikas, Arusha Acharyya, Amos B. Smith +1
Мақола20222 иқтибос
ABI
Synthesis, antimicrobial evaluation, crystal structure, Hirschfeld surface analysis and docking studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid
Mohammed H. Geesi, Yassine Riadi, Abdellah Kaïba +5
Мақола20222 иқтибос
ABI
Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2
Rachida Kerkour, Nadjib Chafai, Ouahiba Moumeni +1
Мақола20222 иқтибос
ABI
Synthesis, biological evaluation, and molecular docking studies of novel diclofenac derivatives as antibacterial agents
Mahmoud M. Hamed, Mostafa Sayed, Shawkat A. Abdel‐Mohsen +4
Мақола20222 иқтибос
ABI