V. Ghule

发表

Molecular dynamics simulations on polythiophenes for chemical sensing applications

T. Soman, V. Ghule, S. Radhakrishnan, 2010 .

Synthesis, characterization of dialkylated erythrosin B derivatives and their utility as a propitious anti-microbial agent

R. Shrivastava, A. Singh, V. Ghule, 2022, Main Group Chemistry.

Synthesis of nitrate ester and nitramine derivatives of polyfluoro alkyl compounds for high energy materials

V. Ghule, D. Srinivas, 2016 .

Simpler fluorescent probe for Homocysteine selective detection

V. Ghule, R. K. Tittal, Nidhi Nehra, 2021, Journal of Molecular Structure.

Quantum-chemical Investigation of Substituted s-Tetrazine Derivatives as Energetic Materials

R. August, Accepted December, V. Ghule, 2012 .

Theoretical studies on nitrogen rich energetic azoles

S. P. Tewari, V. Ghule, P. Jadhav, 2011, Journal of molecular modeling.

Computational screening of oxetane monomers for novel hydroxy terminated polyethers

A. Sikder, V. Ghule, R. Sarangapani, 2014, Journal of Molecular Modeling.

Molecular design of aminopolynitroazole-based high-energy materials

S. P. Tewari, V. Ghule, P. Jadhav, 2012, Journal of Molecular Modeling.

Computational study on energetic properties of nitro derivatives of furan substituted azoles

S. P. Tewari, V. Ghule, S. Radhakrishnan, 2012, Structural Chemistry.

Computational studies on tetrazole derivatives as potential high energy materials

V. Ghule, S. Radhakrishnan, P. Jadhav, 2011 .

Computational design and structure–property relationship studies on heptazines

R. K. Pandey, V. Ghule, P. Jadhav, 2011, Journal of molecular modeling.

Synthesis, Characterization, Fluoride Ion Sensing and DFT Studies of Carbamate-Based Bistriazole

P. Rani, R. Shrivastava, Kashmiri Lal, 2022, Polycyclic Aromatic Compounds.

Synthesis, spectral analysis, DFT-assisted studies, in vitro antioxidant and antimicrobial activity of transition metal complexes of hydrazone ligands derived from 4-nitrocinnemaldehyde

V. Ghule, Sanjeev Kumar, J. Devi, 2022, Research on Chemical Intermediates.

Triazole-substituted nitroarene derivatives: synthesis, characterization, and energetic studies.

N. Kommu, A. Sahoo, V. Ghule, 2014, Chemistry, an Asian journal.

Synthesis of thermally stable energetic 1,2,3-triazole derivatives.

A. Sahoo, V. Ghule, A. S. Kumar, 2013, Chemistry.

Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies

N. Kommu, A. Sahoo, V. Ghule, 2017 .

Design, synthesis, biological activity, molecular docking and computational studies on novel 1,4-disubstituted-1,2,3-Triazole-Thiosemicarbazone hybrid molecules

L. Kumar, Kashmiri Lal, Ashwani Kumar, 2020 .

Synthesis of amino, azido, nitro, and nitrogen-rich azole-substituted derivatives of 1H-benzotriazole for high-energy materials applications.

K. Muralidharan, S. P. Tewari, V. Ghule, 2012, Chemistry.

Synthesis of nitrogen-rich imidazole, 1,2,4-triazole and tetrazole-based compounds

K. Muralidharan, V. Ghule, D. Srinivas, 2014 .

Synthesis and characterization of 1,2,3-triazoles-linked urea hybrid sensor for selective sensing of fluoride ion

P. Rani, R. Shrivastava, Kashmiri Lal, 2020 .

1,2,3-Triazoles of 8-Hydroxyquinoline and HBT: Synthesis and Studies (DNA Binding, Antimicrobial, Molecular Docking, ADME, and DFT)

V. Ghule, R. K. Tittal, Nidhi Nehra, 2021, ACS omega.

Synthesis, antimicrobial potency with in silico study of Boc-leucine-1,2,3-triazoles

Kashmiri Lal, Ashwani Kumar, V. Ghule, 2020, Steroids.

Computational assessment of energetic salts containing 7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole

V. Ghule, A. Nirwan, 2018, Journal of Chemical Sciences.

Synthesis, Characterization, and Energetic Studies of Polynitro Aryl‐1,2,3‐2 H‐Triazoles

N. Kommu, A. Sahoo, V. Ghule, 2016 .

Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives

N. Kommu, A. Sahoo, V. Ghule, 2014 .

Tetraanionic nitrogen-rich tetrazole-based energetic salts.

K. Muralidharan, H. Jenkins, V. Ghule, 2013, Chemistry, an Asian journal.

Potential energetic salts of 5,5′-methylenedi(4H-1,2,4-triazole-3,4-diamine) cation: Synthesis, characterization and detonation performance

V. Ghule, Srinivas Dharavath, A. Yadav, 2022, Energetic Materials Frontiers.

Energetic Triazolo‐Triazolo‐Furazano‐Pyrazines: A Promising Fused Tetracycle Building Block with Diversified Functionalities and Properties

V. Ghule, A. Maan, Ramling S. Mathpati, 2020 .

CuAAC Mediated Synthesis of 2‐HBT Linked Bioactive 1,2,3‐Triazole Hybrids: Investigations through Fluorescence, DNA Binding, Molecular Docking, ADME Predictions and DFT Study

Kashmiri Lal, Ashwini Kumar, V. Ghule, 2021 .

Energetic salts prepared from phenolate derivatives

K. Muralidharan, V. Ghule, D. Srinivas, 2014 .

CuCl/bpy-promoted unusual Z-stereoselective synthesis of trichloroacetic acid phenyl ester for Hirshfeld surface analysis and DFT study

Satish Kumar, V. Ghule, R. K. Tittal, 2019, Journal of Molecular Structure.

2,4,6-tris[bis(1H-tetrazol-5-yl)amino]-1,3,5-triazine as a nitrogen-rich material

K. Muralidharan, V. Ghule, M. H. Rao, 2017, Journal of Chemical Sciences.

Energetic salts from nitroformate ion

R. K. Pandey, V. Ghule, S. Radhakrishnan, 2015, Journal of Molecular Modeling.

A comparative study of the structure, stability and energetic performance of 5,5'-bitetrazole-1,1'-diolate based energetic ionic salts: future high energy density materials.

G. Vaitheeswaran, V. Ghule, B. Abraham, 2018, Physical chemistry chemical physics : PCCP.

Green Synthesis of Triazole-Based Chemosensors and their Efficacy Towards Mercury Sensing

P. Rani, R. Shrivastava, Kashmiri Lal, 2020 .

Effect of multiple oxadiazole rings with nitro and nitramino functionalities on energetic properties: computational analysis of the structure–property relationship

V. Ghule, Srinivas Dharavath, A. Maan, 2021 .

Multianalytes Sensing Probe: Fluorescent Moisture Detection, Smartphone Assisted Colorimetric Phosgene recognition and Colorimetric Discrimination of Cu2+and Fe3+ ions

Amrita Ghosh, R. Kaushik, D. Jose, 2021 .

A multi-responsive pyranone based Schiff base for the selective, sensitive and competent recognition of copper metal ions.

V. Ghule, R. Malhotra, Apurva Goel, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A chromone based Schiff base: An efficient colorimetric sensor for specific detection of Cu (II) ion in real water samples

V. Ghule, R. Malhotra, Apurva Goel, 2020 .

Quantum-chemical design of tetrazolo[1,5-b][1,2,4,5]tetrazine based nitrogen-rich energetic materials

V. Ghule, S. Radhakrishnan, Sonal Deswal, 2015 .

Computational studies on the triazole-based high energy materials

V. Ghule, 2012 .

Substituted triazolo-triazine derivatives as energetic materials: a computational investigation and assessment

V. Ghule, A. Maan, Ramling S. Mathpati, 2020, Journal of Molecular Modeling.

High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide

G. Vaitheeswaran, V. Ghule, N. Yedukondalu, 2016, 1609.00472.

Quantum Chemical Studies on Energetic Azo-Bridged Azoles

S. P. Tewari, V. Ghule, S. Radhakrishnan, 2013 .

Computational Study of Structural, Electronic, and Optical Properties of Crystalline NH4N3

G. Vaitheeswaran, V. Ghule, N. Yedukondalu, 2012, 1311.1316.

Theoretical studies on polynitrobicyclo[1.1.1]pentanes in search of novel high energy density materials

S. P. Tewari, V. Ghule, P. Jadhav, 2011 .

Quantum-chemical studies on thermodynamic feasibility of 1-methyl-2,4,5-trinitroimidazole processes

R. K. Pandey, V. Ghule, P. Jadhav, 2013, Journal of Molecular Modeling.

Quantum-Chemical Studies on TATB Processes

T. Soman, V. Ghule, S. Radhakrishnan, 2010 .

Pressure induced structural phase transition in solid oxidizer KClO3: a first-principles study.

G. Vaitheeswaran, V. Ghule, N. Yedukondalu, 2013, The Journal of chemical physics.

Computer-Aided Design of Energetic Tris(tetrazolyl)amine Derivatives and Salts

A. Devi, V. Ghule, Sonal Deswal, 2016 .

Nitrogen-rich compounds: s-triazine and tri-s-triazine derivatives as high energy materials

K. Muralidharan, V. Ghule, Muddamarri Hanumantha Rao, 2021, Journal of Chemical Sciences.

Computational studies on energetic properties of trinitro-substituted imidazole-triazole and pyrazole-triazole derivatives.

V. Ghule, 2012, The journal of physical chemistry. A.

Computational Study on Substituted s-Triazine Derivatives as Energetic Materials

S. P. Tewari, V. Ghule, S. Radhakrishnan, 2012 .

Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate anions

A. Paul, V. Ghule, Srinivas Dharavath, 2020 .

Computational Evaluation of Polycyclic Bis-Oxadiazolo-Pyrazine Backbone in Designing Potential Energetic Materials

V. Ghule, Srinivas Dharavath, Anjali Maan, 2022, Polycyclic Aromatic Compounds.

Unfolding the chemistry of FOX-7: Unique energetic material and precursor with numerous possibilities

V. Ghule, Srinivas Dharavath, Shreyasi Banik, 2021, Chemical Engineering Journal.

Nitrogen‐rich Compounds with Multiple Azole Rings: Gas Generant, Enthalpy Enhancer and Applicable Cationic Component

V. Ghule, Srinivas Dharavath, Ramling S. Mathpati, 2021 .

Computational Screening of Nitrogen-Rich Energetic Salts Based on Substituted Triazine

V. Ghule, 2013 .

Estimation of heats of formation for nitrogen-rich cations using G3, G4, and G4 (MP2) theoretical methods

V. Ghule, A. Nirwan, 2018, Theoretical Chemistry Accounts.

Facile Fabrication of Functionalized Pyrimidine Derivatives: Constructing a New Family of High Performance and Less Sensitive Energetic Compounds

V. Ghule, Srinivas Dharavath, A. Yadav, 2022, Journal of Materials Chemistry A.

1,3,5-Tris[(2H-tetrazol-5-yl)methyl]isocyanurate and Its Tricationic Salts as Thermostable and Insensitive Energetic Materials.

V. Ghule, Srinivas Dharavath, Parasar Kumar, 2022, Organic letters.

Computational assessment of nitrogen-rich peracids: a family of peroxide-based energetic materials

A. Devi, V. Ghule, Papiya Parbat, 2017 .

Tetranitro-diazinodiazines as high energy materials: computational investigation of structural aspects of fused heterocyclic backbone and isomerism

V. Ghule, Srinivas Dharavath, A. Maan, 2021, Structural Chemistry.

Poly Tetrazole Containing Thermally Stable and Insensitive Alkali Metal-Based 3D Energetic Metal-Organic Frameworks.

V. Ghule, Srinivas Dharavath, Richa Rajak, 2023, Inorganic chemistry.

Promising Thermally Stable Energetic Materials with the Combination of Pyrazole-1,3,4-Oxadiazole and Pyrazole-1,2,4-Triazole Backbones: Facile Synthesis and Energetic Performance.

V. Ghule, Srinivas Dharavath, A. Yadav, 2022, ACS applied materials & interfaces.

Facile synthesis of nitroamino-1,3,4-oxadiazole with azo linkage: a new family of high-performance and biosafe energetic materials

Pradeep Kumar, V. Ghule, S. Khanna, 2022, Journal of Materials Chemistry A.

Thermally Stable and Insensitive Energetic Cocrystals Comprising Nitrobarbituric Acid Coformers

V. Ghule, Srinivas Dharavath, Abhishek Kumar Yadav, 2023, Crystal Growth & Design.

Dianionic Nitrogen-rich Triazole and Tetrazole-Based Energetic Salts: Synthesis and Detonation Performance

V. Ghule, Srinivas Dharavath, A. Yadav, 2021, Materials Chemistry Frontiers.

Studies on energetic properties for nitrotetrazole substituted triazole and oxadiazole derivatives with density functional theory

V. Ghule, 2013 .

Synthesis, photophysical and DFT investigations on 1,2,3-triazoles linked to chalcone and chalco-pyrene

Kashmiri Lal, D. Jose, V. Ghule, 2023, Chemical Papers.

Molecular design and screening of energetic nitramine derivatives

A. Devi, V. Ghule, Srinivas Dharavath, 2015, Journal of Molecular Modeling.

Fluorescent 7-Azaindole N-linked 1,2,3-triazole: Synthesis and Study of Antimicrobial, Molecular Docking, ADME and DFT Properties

K. Sharma, Kashmiri Lal, V. Ghule, 2023, New Journal of Chemistry.

ESIPT- based fluorescent probe for the detection of multianalyte and a facile approach to discriminate arsenate and pyrophosphate in water

Amrita Ghosh, V. Ghule, Srushti Gadiyaram, 2022, Sensors & Diagnostics.

Computational Manifestation of Nitro-Substituted Tris(triazole): Understanding the Impact of Isomerism on Performance-Stability Parameters.

V. Ghule, Srinivas Dharavath, A. Maan, 2023, The journal of physical chemistry. A.

Theoretical determination of the effects of various linkages between trinitrobenzenes on energetic properties and sensitivity

A. Devi, V. Ghule, A. Nirwan, 2019, Journal of Molecular Modeling.

Theoretical investigation of (tetrazine-3,6diyl) dihydrazinecarboxamide-based high-nitrogen-containing energetic macromolecules

A. Devi, V. Ghule, 2018, Journal of Theoretical and Computational Chemistry.

Quantum-chemical studies on hexaazaisowurtzitanes.

T. Soman, V. Ghule, S. Radhakrishnan, 2010, Journal of Physical Chemistry A.

Energetic Monoanionic Salts of 3,5‐Dinitropyridin‐2‐ol

K. Muralidharan, V. Ghule, D. Srinivas, 2013 .

Synthesis, characterization, testing, and detonation performance studies of fused pyrazole-based fluorescent energetic materials

V. Ghule, Srinivas Dharavath, Shreyasi Banik, 2023, Materials Chemistry and Physics.

Computational assessment of nitrogen-enriched, stable and insensitive tris(1,2,4,5-tetrazin-3-yl)amine building block for energetic applications

V. Ghule, Srinivas Dharavath, A. Maan, 2021, Energetic Materials Frontiers.

Unexpected Synthesis of Oxadiazole Analogues: Characterization and Energetic Properties

V. Ghule, Srinivas Dharavath, Abhishek Kumar Yadav, 2022, Asian Journal of Organic Chemistry.

Facile synthesis of thermally stable tetrazolo[1,5-b][1,2,4]triazine substituted energetic materials: synthesis and characterization.

V. Ghule, Srinivas Dharavath, Parasar Kumar, 2022, Dalton transactions.

Design and computational studies on energetic compounds composing bridged bis triazolo-triazine framework

V. Ghule, Srinivas Dharavath, A. Maan, 2023, Chemical Physics.

Azo-Bridged Triazole Macrocycles: Computational Design, Energy Content, Performance, and Stability Assessment.

V. Ghule, Srinivas Dharavath, Anjali Maan, 2023, The journal of physical chemistry. A.

Synthesis, Characterization, and Energetic Studies of Polynitro Aryl‐1,2,3‐2 H‐Triazoles

N. Kommu, A. Sahoo, V. Ghule, 2016 .

Assessment of density prediction methods based on molecular surface electrostatic potential

A. Devi, V. Ghule, A. Nirwan, 2018, Journal of Molecular Modeling.