N. Siddiqui

发表

K-Promoted Pt-Hydrotalcite catalyst for production of H2 by Aqueous phase reforming of Glycerol

R. Bal, C. Baskar, L. Konathala, 2017 .

Synthesis, Crystal Structure, Characterization, Hirshfeld Analysis, Molecular Docking and DFT Calculations of 5-Phenylamino-Isophthalic Acid: A Good NLO Material

Arif Ali, M. Khan, Meenakshi Singh, 2022, Journal of Molecular Structure.

Energy efficient methane tri-reforming for synthesis gas production over highly coke resistant nanocrystalline Ni–ZrO2 catalyst

Z. Iqbal, R. Bal, Rajib Kumar Singha, 2016 .

trans-Bis{2-[bis(1H-pyrazol-1-yl)methyl]-1-methyl-1H-benzimidazole}iron(II) bis(perchlorate) acetonitrile disolvate

S. Javed, Akhilesh Kumar, Md Serajul Haque Faizi, 2019, IUCrData.

Identification of potential inhibitors of SARS-CoV-2 from Artemisia annua compounds by In silico evaluation and their density functional theory (DFT)

S. Javed, N. Siddiqui, A. Elmi, 2021, Journal of Drug Delivery and Therapeutics.

Structures, stability and hydrogen bonding in inositol conformers.

R. Gurunath, M. Deshmukh, N. Siddiqui, 2015, Physical chemistry chemical physics : PCCP.

Peptide generated anisotropic gold nanoparticles as efficient siRNA vectors

R. Bal, D. Mandal, Bijayananda Panigrahi, 2019, International journal of pharmaceutics.

Study of γ-valerolactone production from hydrogenation of levulinic acid over nanostructured Pt-hydrotalcite catalysts at low temperature

K. Shah, R. Bal, T. Khan, 2022, Fuel.

Fabrication of Au Nanoparticles Supported on One-Dimensional La2O3 Nanorods for Selective Esterification of Methacrolein to Methyl Methacrylate with Molecular Oxygen

D. Das, R. Bal, Gurmeet Singh, 2019, ACS Sustainable Chemistry and Engineering.

Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, Molecular docking and dynamics simulation studies on Pyridine-2,6-dicarbonyl dichloride

Meenakshi Singh, S. Muthu, H. AlSalem, 2022, Journal of Molecular Structure.

Carbothioamide Based Pyrazoline Derivative: Synthesis, Single Crystal Structure, DFT/TD-DFT, Hirshfeld Surface Analysis and Biological Studies

S. Javed, Rahisuddin, N. Manzoor, 2022, Polycyclic Aromatic Compounds.

nSynthesis, single crystal structure, DNA binding and antioxidant properties of 5-(4-(dimethylamino)phenyl)-3-(thiophen-2-yl)-pyrazoline-1-carbothioamide

S. Javed, Rahisuddin, N. Siddiqui, 2022, Journal of Molecular Structure.

N-[4-(phenyl telluro) butyl] phthalimide: Synthesis, spectral characterization, DFT studies and its complexes with mercury salts

S. Srivastava, S. Javed, N. Siddiqui, 2021 .

Quantum Computational, Spectroscopic and Molecular Docking Studies on N-(4-Hydroxyphenyl)picolinamide

Meenakshi Singh, Neha Singh, S. Javed, 2021, Asian Journal of Organic & Medicinal Chemistry.

Cetyl alcohol mediated synthesis of CuCr2O4 spinel nanoparticles: a green catalyst for selective oxidation of aromatic C–H bonds with hydrogen peroxide

R. Bal, L. Konathala, Shilpi Ghosh, 2015 .

Production and Characterization of Cellulose Nanofibers from Wood Pulp

D. Bousfield, D. Gardner, N. Siddiqui, 2011 .

Synthesis, Crystal Structure, DFT Studies on Tetramethyl-(p-Tolyl)-Hexahydro-1H-Xanthene-1,8(2H)-Dione

R. Butcher, S. Javed, N. Siddiqui, 2023, Polycyclic Aromatic Compounds.

Synthesis, Spectroscopic, Quantum Chemical, and Molecular Docking Studies of 2-Cyano-N-Cyclopropylacetamide and 2-Cyano-N-(1-Phenylethyl)Acetamide

S. Javed, N. Siddiqui, Aysha Fatima, 2022, Polycyclic Aromatic Compounds.

Synthesis, Single crystal X-ray, DFT, Hirshfeld Surface and molecular docking studies of 9-(2,4-dichlorophenyl)-4a-hydroxy-tetramethyl-octahydro-1H-xanthene-1,8(2H)-dione.

S. Srivastava, R. Butcher, S. Muthu, 2022, Journal of Molecular Structure.

Dimeric ZnII complex of carboxylate-appended (2-pyridyl)alkylamine ligand and Exploration of experimental, theoretical, molecular docking and electronic excitation studies of ligand

Shashikant, S. Javed, N. Siddiqui, 2022, Journal of Molecular Structure.

Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid

Arif Ali, Mayank Gupta, S. Javed, 2022, Crystals.

Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde

S. Javed, N. Siddiqui, Aysha Fatima, 2022, Polycyclic Aromatic Compounds.

Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug

S. Javed, N. Siddiqui, Aysha Fatima, 2021, Journal of Molecular Liquids.

Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies

S. Javed, N. Siddiqui, 2021 .

Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride

S. Javed, N. Siddiqui, Aysha Fatima, 2022, Journal of Molecular Structure.

Copper(II) Monomer Bearing Phenolate-Based Ligand: Theoretical and Experimental Visions

P. Tyagi, S. Javed, K. Althubeiti, 2022, Polycyclic Aromatic Compounds.

Investigations on experimental, theoretical spectroscopic, electronic excitations, molecular docking of Sulfaguanidine (SG): An antibiotic drug

Meenakshi Singh, S. Javed, N. Siddiqui, 2021, Chemical Physics Letters.

Exploration of experimental and theoretical properties of 5,5-dimethyl 3-amino-cyclohex-2-en-1-one(AMINE DIMEDONE) by DFT/TD-DFT with ethanol and DMSO as solvents and Molecular Docking studies

S. Srivastava, S. Javed, N. Siddiqui, 2021 .

Conformational Stability, Quantum computational, Spectroscopic, Molecular Docking and Molecular Dynamic Simulation study of 2-Hydroxy-1-Naphthaldehyde

Meenakshi Singh, S. Muthu, S. Javed, 2022, Journal of Molecular Structure.

Synthesis, Single Crystal, Characterization and Computational Study of 2-amino-N-cyclopropyl-5-ethyl-thiophene-3-carboxamide

S. Srivastava, R. Butcher, S. Javed, 2021, Journal of Molecular Structure.

Synthesis, X-Ray Diffraction, DFT and Hirshfeld Surface Studies of 9-(4-Hydroxyphenyl-Tetramethyl-Hexahydro-1H-Xanthene-1,8(2H)-Dione

S. Srivastava, R. Butcher, S. Javed, 2022, Polycyclic Aromatic Compounds.

Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer)

Meenakshi Singh, S. Javed, N. Siddiqui, 2022, Polycyclic Aromatic Compounds.

Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine

Meenakshi Singh, S. Javed, K. Althubeiti, 2022, Polycyclic Aromatic Compounds.

Experimental Spectroscopic, Quantum Computational, Hirshfeld Surface, Molecular Docking, and Electronic Excitation Studies on an Antibiotic Agent: SDZ

Meenakshi Singh, S. Javed, Musheer Ahmad, 2022, Polycyclic Aromatic Compounds.

Synthesis, Characterization, Crystal Structure, Hirshfeld Surface, Electronic Excitation, Molecular Docking, and DFT Studies on 2-Amino Thiophene Derivative

S. Srivastava, S. Javed, R. Butcher, 2022, Polycyclic Aromatic Compounds.

Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole

Meenakshi Singh, S. Javed, N. Siddiqui, 2021 .

Spectroscopic, molecular structure, electronic, Hirshfeld surface, molecular docking, and thermodynamic investigations of trans-4-hydroxy-L-proline by DFT method

Meenakshi Singh, S. Javed, R. Butcher, 2021, Journal of Molecular Liquids.

Synthesis, computational, spectroscopic, hirshfeld surface, electronic state and molecular docking studies on diethyl-5-amino-3-methylthiophene-2,4-dicarboxylate

S. Javed, N. Siddiqui, Aysha Fatima, 2021, Chemical Physics Letters.

Quantum Chemical, Spectroscopic, Hirshfeld surface and Molecular Docking studies on 2-aminobenzothiazole

M. Kumar, Meenakshi Singh, S. Javed, 2021, Journal of Molecular Structure.

Hydrogenation of 5-hydroxymethylfurfural to 2,5 dimethylfuran over nickel supported tungsten oxide nanostructured catalyst

R. Bal, R. Goyal, C. Pendem, 2018 .

Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer)

Akram H M Ali, P. Garg, S. Javed, 2022, Polycyclic Aromatic Compounds.

DFT, Molecular Docking, Molecular Dynamics Simulation (MMGBSA) and Hirshfeld Surface Analysis of 5-Sulfosalicylic Acid

P. Garg, S. Javed, N. Siddiqui, 2022, Journal of Molecular Structure.

Exploration of experimental, theoretical, Hirshfeld surface, molecular docking and electronic excitation studies of Menadione:A potent anti-cancer agent

Meenakshi Singh, S. Muthu, S. Javed, 2022, Journal of Molecular Liquids.

Experimental spectroscopic and quantum computational analysis of pyridine-2,6-dicarboxalic acid with molecular docking studies

S. Javed, N. Siddiqui, Neha Agarwal, 2021 .

Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental Insights

D. Choquesillo-Lazarte, S. Javed, Akhilesh Kumar, 2023, Polycyclic Aromatic Compounds.

Selective transfer hydrogenation of biomass derived furanic molecules using cyclohexanol as a hydrogen donor over nanostructured Cu/MgO catalyst

R. Bal, T. Khan, C. Samanta, 2021, Molecular Catalysis.

Synthesis of Magnetic Hydrogels for Target Delivery of Doxorubicin

Ajay Kumar, N. Siddiqui, S. Mehtab, 2019, Advanced Science Engineering and Medicine.

Studies of synergy between metal–support interfaces and selective hydrogenation of HMF to DMF in water

S. Bhargava, Bipul Sarkar, R. Goyal, 2016 .

Modification in durability of mango wood through reactive reinforcement of polyacrylonitrile

N. Siddiqui, M. Zaidi, S. Masroor, 2020 .

Experimental Spectroscopic (FT-IR, 1H and 13C NMR, ESI-MS, UV) Analysis, Single Crystal X-Ray, Computational, Hirshfeld Analysis, and Molecular Docking of 2-Amino-N-Cyclopropyl-5-Heptylthiophene-3-Carboxamide and Its Derivatives

R. Butcher, S. Javed, N. Siddiqui, 2022, Polycyclic Aromatic Compounds.

Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid

S. Javed, N. Siddiqui, Aysha Fatima, 2021 .

Tuning Thin Film Properties by Structural Modulations in Red Fluorescent Protein Chromophore Analogues

S. S. Kumar Iyer, N. Siddiqui, G. Ramanathan, 2019 .

Quantum Computational, Spectroscopic, NHO and Molecular Docking Studies on 1-Methyl-nicotinamide (MNA): An Antithrombotic, Anti-inflammatory, Gastroprotective and Vasoprotective Compound

S. Javed, Satyavir Singh, N. Siddiqui, 2021, Asian Journal of Organic & Medicinal Chemistry.

Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV–Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer)

S. Javed, M. Muddassir, N. Siddiqui, 2023, Molecules.

Synthesis, Spectroscopic, Crystal Structure, DFT, Hirshfeld Surface and Molecular Docking Analysis of Hexahydroquinoline Derivative (HQ)

S. Srivastava, S. Javed, R. Butcher, 2022, Polycyclic Aromatic Compounds.

Evaluation of experimental, computational, molecular docking and dynamic simulation of flucytosine

S. Javed, N. Siddiqui, P. Bhattacharya, 2022, Journal of biomolecular structure & dynamics.

EFFECT OF KITCHEN WASTES AND ANIMAL DUNG ON REPRODUCTIVE POTENTIAL OF EUTYPHOEUS WALTONI

N. Siddiqui, Keshav Singh, 2023, International Journal of Biological Innovations.

Synthesis, Single crystal, TD-DFT, Molecular Dynamics Simulation and DNA binding studies of Carbothioamide Analog

S. Javed, N. Manzoor, N. Siddiqui, 2023, Journal of Molecular Structure.

Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate

S. Javed, N. Siddiqui, P. Bhattacharya, 2023, Journal of biomolecular structure & dynamics.

Experimental, Theoretical, Hirschfeld surface, Electronic excitation and Molecular docking studies on fomepizole(4-Methyl-1H-Pyrazole)

S. Javed, N. Siddiqui, Aysha Fatima, 2022, Journal of Molecular Structure.

Synthesis, X-ray diffraction, DFT, and molecular docking studies of isonicotinohydrazide derivative

S. Javed, N. Siddiqui, Aysha Fatima, 2023, Zeitschrift für Physikalische Chemie.

Molecular Docking, Dynamic Simulation and DFT Approach to Noble “2-Hydrazinobenzothiazole” Compound

S. Javed, K. Althubeiti, N. Siddiqui, 2023 .

Multifaceted Investigation of Sulfamerazine: Insights from Computational Methods, Experimental Techniques, and Molecular Simulations

N. Siddiqui, Himanshu Arora, Km. Garima, 2024, Journal of Molecular Structure.

Study of L-tryptophan (a neurotransmitter precursor): spectral, Hirshfeld surface, molecular docking and dynamics simulations

S. Javed, N. Siddiqui, Aysha Fatima, 2023, Zeitschrift für Physikalische Chemie.

A Comprehensive Investigation of (E)-2,4-Dimethyl-6-(((2-(Phenylthio)phenyl)imino)methyl)phenol (2PTALD): Synthesis, Crystal Structure, and Computational Insights with molecular dynamic simulations

N. Siddiqui, Himanshu Arora, Saleem Javed, 2024, Journal of Molecular Structure.

Synthesis, crystal structure, DFT, Hirshfeld surface, 3D energy frameworks analysis and Molecular Docking of pyrimidine derivative: A Theoretical and experimental approach

S. Javed, N. Siddiqui, Aysha Fatima, 2023, Chemical Physics Impact.

Quantum Computational, Spectroscopic Characterization, Hirshfeld Analysis & Molecular docking Studies on p-Toluenesulfonic Acid (p-TSA) or Tosylic Acid

S. Javed, R. Javed, N. Siddiqui, 2023, Chemical Physics Impact.

Exploration of Experimental, Theoretical, Molecular Docking, and Electronic Excitation Studies of Carboxylate-Appended (2-Pyridyl)Alkylamine Ligand†

S. Javed, N. Siddiqui, Akram Ali, 2023, Polycyclic Aromatic Compounds.

Spectroscopic, quantum computational, molecular dynamic simulations, and molecular docking investigation of the biologically important compound-2,6-diaminopyridine

N. Siddiqui, Aysha Fatima, Sandhya Savita, 2024, Spectroscopy Letters.