Computational Study of Structural, Molecular Orbitals, Optical and Thermodynamic Parameters of Thiophene Sulfonamide Derivatives

Efficient synthesis of 2,3-diarylbenzo[b]thiophene molecules through palladium (0) Suzuki–Miyaura cross-coupling reaction and their antithrombolyitc, biofilm inhibition, hemolytic potential and molecular docking studies

(2020) Nosheen Sial et al.   MEDICINAL CHEMISTRY RESEARCH

DFT calculations on molecular structures, HOMO-LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2-chloridophenylacetohydroxamate complexes

(2019) VineetKumar Choudhary et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural, spectroscopic and nonlinear optical properties of sulfonamide derivatives; experimental and theoretical study

(2019) Muhammad Nadeem Arshad et al.   JOURNAL OF MOLECULAR STRUCTURE

Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: selectivity, characterization, DFT studies and their biological evaluations

(2018) Komal Rizwan et al.   Chemistry Central Journal

A computational perspective of vibrational and electronic analysis of potential photosensitizer 2-chlorothioxanthone

(2018) Narmeen Ali et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, spectroscopic characterization and DFT calculations of novel Schiff base containing thiophene ring

(2018) Emel Ermiş   JOURNAL OF MOLECULAR STRUCTURE

New Concept on Photocatalytic Degradation of Thiophene Derivatives: Experimental and DFT Studies

(2018) Nadia Djouambi et al.   Journal of Physical Chemistry C

A pyrene-thiophene based fluorescent probe for ratiometric sensing of bisulfite and its application in vivo imaging

(2018) Jianbin Chao et al.   SENSORS AND ACTUATORS B-CHEMICAL

Synthesis of 3,4-Biaryl-2,5-Dichlorothiophene through Suzuki Cross-Coupling and Theoretical Exploration of Their Potential Applications as Nonlinear Optical Materials

(2018) Nasir Mahmood et al.   Symmetry-Basel

Adsorption of thiophene on the surfaces of X 12 Y 12 (X = Al, B, and Y = N,P) nanoclusters; A DFT study

(2017) Ali Shokuhi Rad et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, characterization and computational studies of a novel thieno[2,3- b ]thiophene derivative

(2017) Yahia N. Mabkhot et al.   JOURNAL OF MOLECULAR STRUCTURE

A facile synthesis of new 5-aryl-thiophenes bearing sulfonamide moiety via Pd(0)-catalyzed Suzuki–Miyaura cross coupling reactions and 5-bromothiophene-2-acetamide: As potent urease inhibitor, antibacterial agent and hemolytically active compounds

(2017) Mnaza Noreen et al.   Journal of Saudi Chemical Society

Synthesis and antitubercular evaluation of novel dibenzo[ b , d ]thiophene tethered imidazo[1,2- a ]pyridine-3-carboxamides

(2016) Lokesh Pulipati et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Synthesis and biological evaluation of thiophene and benzo[b]thiophene analogs of combretastatin A-4 and isocombretastatin A-4: A comparison between the linkage positions of the 3,4,5-trimethoxystyrene unit

(2016) Cong Viet Do et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Recent Progress in Synthesis and Application of Thiophene Oligomers Based on Bithiophene Dicarbanions

(2016) Lu Li et al.   CHEMICAL RECORD

Molecular structure, vibrational, UV, NMR, HOMO-LUMO, MEP, NLO, NBO analysis of 3,5 di tert butyl 4 hydroxy benzoic acid

(2016) R. Mathammal et al.   JOURNAL OF MOLECULAR STRUCTURE

Novel thiazole–thiophene conjugates as adenosine receptor antagonists: Synthesis, biological evaluation and docking studies

(2015) Dhaivat H. Pandya et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Computational Methods Applied in Physical-Chemistry Property Relationships of Thiophene Derivatives

(2015) Salah Belaidi et al.   Journal of Computational and Theoretical Nanoscience

Synthesis, Density Functional Theory (DFT), Urease Inhibition and Antimicrobial Activities of 5-Aryl Thiophenes Bearing Sulphonylacetamide Moieties

(2015) Mnaza Noreen et al.   MOLECULES

Design, synthesis, antimicrobial evaluation and molecular docking studies of some new thiophene, pyrazole and pyridone derivatives bearing sulfisoxazole moiety

(2014) Tamer Nasr et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis and antibacterial activity of sulfonamides. SAR and DFT studies

(2014) Wahida Boufas et al.   JOURNAL OF MOLECULAR STRUCTURE

Arylation and Heteroarylation of Thienylsulfonamides with Organotrifluoroborates

(2014) Mnaza Noreen et al.   JOURNAL OF ORGANIC CHEMISTRY

DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule

(2014) Urmila Pandey et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

High Performance Photovoltaic Applications Using Solution-Processed Small Molecules

(2013) Yongsheng Chen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Experimental (XRD, FT-IR and UV–Vis) and theoretical modeling studies of Schiff base (E)-N′-((5-nitrothiophen-2-yl)methylene)-2-phenoxyaniline

(2013) Hasan Tanak et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists

(2012) Huayun Deng et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene)

(2011) Guangtao Yu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Facile Bismuth−Oxygen Bond Cleavage, C−H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2−

(2011) Ian J. Casely et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Calculation of vibrational spectroscopic and NMR parameters of 2-Dicyanovinyl-5-(4-N,N-dimethylaminophenyl) thiophene by ab initio HF and density functional methods

(2011) Li Xiao-Hong et al.   Computational and Theoretical Chemistry

Synthesis, Structure and Anticancer Activity Studies of 1-[(5-Bromo-2-thienyl)sulfonyl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione

(2010) Qian Miao et al.   CHINESE JOURNAL OF CHEMISTRY

Frontiers in electronic structure theory

(2010) C. David Sherrill   JOURNAL OF CHEMICAL PHYSICS

On Koopmans’ theorem in density functional theory

(2010) Takao Tsuneda et al.   JOURNAL OF CHEMICAL PHYSICS

Copper-MediatedN-Heteroarylation of Primary Sulfonamides: Synthesis of Mono-N-heteroaryl Sulfonamides

(2010) Jonathan Baffoe et al.   ORGANIC LETTERS

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An Organic Sensitizer with a Fused Dithienothiophene Unit for Efficient and Stable Dye-Sensitized Solar Cells

(2008) Hao Qin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sulfonamides as a subject to study molecular interactions in crystals and solutions: Sublimation, solubility, solvation, distribution and crystal structure

(2007) German L. Perlovich et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS