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Structure, chemical reactivity, NBO, MEP analysis and thermodynamic parameters of pentamethyl benzene using DFT study

Chemical physics impact, 2023-12, Vol.7, p.100280, Article 100280

2023

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An X-band conformal FSS with enhanced shielding effectiveness

International journal of electronics, 2024-01, p.1-13

2024

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Structure, Frontier Molecular Orbitals, MEP, Charge Analysis, and NLO Study of 2,4-, 2,5-, and 2,6-Dimethylanilines Using DFT

Polycyclic aromatic compounds, 2024-09, Vol.44 (8), p.5166-5187

2024

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Pyridinecarboxaldehydes: Structures, Vibrational Assignments and Molecular Characteristics Using Experimental and Theoretical Methods

Brazilian journal of physics, 2023-04, Vol.53 (2), Article 45

2023

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Spectroscopic investigation on structure (monomer and dimer), molecular characteristics and comparative study on vibrational analysis of picolinic and isonicotinic acids using experimental and theoretical (DFT & IVP) methods

Journal of molecular structure, 2018-05, Vol.1160, p.271-292

2018

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Synthesis, NMR, electronic properties using DFT study and anticancer activity of 3-methyl-6-(m-tolylamine) quinazolin-4(3H)-one

Journal of molecular structure, 2024-08, Vol.1309, p.138144, Article 138144

2024

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Quantum Chemical Study for Structure, Electronic and NLO Properties of 2-Amino-4-nitrotoluene and 2-Amino-5-nitrotoluene

Asian journal of chemistry, 2023-05, Vol.35 (5), p.1283-1290

2023

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Synthesis, antimicrobial activity and DFT studies of 4,5-dihydro-9-methoxy-4-(5-methylisoxazol-3-yl)benzo[f][1,4]oxazepin-3(2H)-one

Materials today : proceedings, 2022, Vol.50, p.340-347

2022

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Structure Conformation, Vibrational Properties, NLO Activity, HOMO-LUMO and Thermodynamic Parameters of Dinicotinic Acid Using Experimental and Theoretical Approach

Biointerface Research in Applied Chemistry, 2022-06, Vol.12 (3), p.2752-2761

2022

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Development of New 5‐(Oxazol‐2‐yl)Pyrimidine Derivatives with Promising Anticancer Activities

ChemistrySelect (Weinheim), 2023-12, Vol.8 (45), p.n/a

2023

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Synthesis, DFT computations, molecular docking studies and anticancer activity of 2-(4-fluorophenyl)-3-(5-methylisoxazol-3-yl)thiazolidin-4-one

Chemical Data Collections, 2022-06, Vol.39, p.100859, Article 100859

2022

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Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory

Optics and photonics journal, 2015, Vol.5 (3), p.91-107

2015

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Synthesis of N-substituted-2-aminobenzothiazoles using nano copper oxide as a recyclable catalyst under ligand-free conditions in reusable PEG-400 medium

Chinese chemical letters, 2014-05, Vol.25 (5), p.732-736

2014

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Adult Stem Cell Therapeutics in Diabetic Retinopathy

International journal of molecular sciences, 2019-09, Vol.20 (19), p.4876

2019

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Self-assembled and highly faceted growth of Mo and V doped ZnO nanoflowers for high-performance supercapacitors

Journal of alloys and compounds, 2021-12, Vol.886, p.161234, Article 161234

2021

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Facile construction and controllable design of CoTiO3@Co3O4/N CNO hybrid heterojunction nanocomposite electrode for high-performance supercapacitors

Electrochimica acta, 2022-03, Vol.407, p.139868, Article 139868

2022

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Superior energy‐power performance of N‐doped carbon nano‐onions‐based asymmetric and symmetric supercapacitor devices

International journal of energy research, 2022-02, Vol.46 (2), p.1234-1249

2022

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Homogeneous molten salt formulations as thermal energy storage media and heat transfer fluid

Journal of energy storage, 2022-06, Vol.50, p.104200, Article 104200

2022

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Targeting tubulin polymerization and DNA binding of 4-thiazolidinone-umbelliferone hybrids: synthesis and cytotoxicity evaluation

New journal of chemistry, 2021-10, Vol.45 (4), p.1898-18923

2021

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CuI/La(OTf) 3 catalyzed, one-pot synthesis of isomeric ellipticine derivatives in ionic liquid

Tetrahedron, 2010-06, Vol.66 (23), p.4218-4222

2010

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Facile construction and controllable design of CoTiO3@Co3O4/NCNO hybrid heterojunction nanocomposite electrode for high-performance supercapacitors

Electrochimica acta, 2022-03, Vol.407, Article 139868

2022

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A Cross Sectional Study on Estimation of Stature from Head length in the Population of Telangana

Indian journal of forensic medicine toxicology, 2024-07, Vol.18 (3), p.80-84

2024

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A Flexible Approach to the Chromenoquinolines under Copper/Lewis Acid Catalysis

Synlett, 2010-03, Vol.2010 (5), p.757-760

2010

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Safety and outcomes of percutaneous nephrolithotomy in the supine position: a single-centre experience

International journal of research in medical sciences, 2024-08, Vol.12 (9), p.3219-3223

2024

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Penile emergencies: two years experience at our centre

International journal of research in medical sciences, 2024-07, Vol.12 (8), p.2804-2808

2024

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Structure, chemical reactivity, NBO, MEP analysis and thermodynamic parameters of pentamethyl benzene using DFT study

An X-band conformal FSS with enhanced shielding effectiveness

Structure, Frontier Molecular Orbitals, MEP, Charge Analysis, and NLO Study of 2,4-, 2,5-, and 2,6-Dimethylanilines Using DFT

Pyridinecarboxaldehydes: Structures, Vibrational Assignments and Molecular Characteristics Using Experimental and Theoretical Methods

Spectroscopic investigation on structure (monomer and dimer), molecular characteristics and comparative study on vibrational analysis of picolinic and isonicotinic acids using experimental and theoretical (DFT & IVP) methods

Synthesis, NMR, electronic properties using DFT study and anticancer activity of 3-methyl-6-(m-tolylamine) quinazolin-4(3H)-one

Quantum Chemical Study for Structure, Electronic and NLO Properties of 2-Amino-4-nitrotoluene and 2-Amino-5-nitrotoluene

Synthesis, antimicrobial activity and DFT studies of 4,5-dihydro-9-methoxy-4-(5-methylisoxazol-3-yl)benzo[f][1,4]oxazepin-3(2H)-one

Structure Conformation, Vibrational Properties, NLO Activity, HOMO-LUMO and Thermodynamic Parameters of Dinicotinic Acid Using Experimental and Theoretical Approach

Development of New 5‐(Oxazol‐2‐yl)Pyrimidine Derivatives with Promising Anticancer Activities

Synthesis, DFT computations, molecular docking studies and anticancer activity of 2-(4-fluorophenyl)-3-(5-methylisoxazol-3-yl)thiazolidin-4-one

Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory

Synthesis of N-substituted-2-aminobenzothiazoles using nano copper oxide as a recyclable catalyst under ligand-free conditions in reusable PEG-400 medium

Adult Stem Cell Therapeutics in Diabetic Retinopathy

Self-assembled and highly faceted growth of Mo and V doped ZnO nanoflowers for high-performance supercapacitors

Facile construction and controllable design of CoTiO3@Co3O4/N CNO hybrid heterojunction nanocomposite electrode for high-performance supercapacitors

Superior energy‐power performance of N‐doped carbon nano‐onions‐based asymmetric and symmetric supercapacitor devices

Homogeneous molten salt formulations as thermal energy storage media and heat transfer fluid

Targeting tubulin polymerization and DNA binding of 4-thiazolidinone-umbelliferone hybrids: synthesis and cytotoxicity evaluation

CuI/La(OTf) 3 catalyzed, one-pot synthesis of isomeric ellipticine derivatives in ionic liquid

Facile construction and controllable design of CoTiO3@Co3O4/NCNO hybrid heterojunction nanocomposite electrode for high-performance supercapacitors

A Cross Sectional Study on Estimation of Stature from Head length in the Population of Telangana

A Flexible Approach to the Chromenoquinolines under Copper/Lewis Acid Catalysis

Safety and outcomes of percutaneous nephrolithotomy in the supine position: a single-centre experience

Penile emergencies: two years experience at our centre

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