Neratur K. Lokanath - Department of Studies in Physics, University of Mysore

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Structural and Computational Exploration of Zwitterionic and Quinoidal Forms in Schiff Base Compound

T. N. Bharath,A. H. Udaya Kumar, Mahesha,K. J. Pampa,Akil Ahmad, B. Alshammari,Kumara Karthik,N. K. Lokanath

JOURNAL OF MOLECULAR STRUCTURE (2025)

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Structural Elucidation and In-Silico Evaluation of 1,2,4-Triazole Derivative As Potent Omicron Variant of SARS-CoV-2 Spike Protein Inhibitor with Pharmacokinetics ADMET and Drug-Likeness Predictions

D. C. Vinay Kumar,B. S. Chethan, V. Shalini,K. S. Rangappa,N. K. Lokanath

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Regioselective Benzylation of Imidazo[1,5-A]pyridines and Indoles Via Iodine Catalyzed Reaction Using Alcohols - an Approach to Crystal Structure Prediction, DFT Studies and Hirshfeld Surface Analysis

Nagaraju Chaithra,Hassan A. Swarup,S. Chandrasekhar,B. K. Jayanna,Karthik Kumara,Kempegowda Mantelingu,N. K. Lokanath

JOURNAL OF MOLECULAR STRUCTURE (2024)

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A New Mixed-Ligand Mononuclear Co(II) Complex Derived from 4,4,4-Trifluoro-1-phenylbutane-1,3-dione and 1,10-Phenanthroline: Synthesis, Structural Elucidation and Quantum-Computational Studies

M. K. Hema,C. S. Karthik,Jothi Ramalingam Rajabathar, Hamad A. Al Lohedan,Hassan Alsaigh,Selvaraj Arokiyaraj, Dafellah M. Aldayan,N. K. Lokanath

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Unveiling a Novel Solvatomorphism of Anti-inflammatory Flufenamic Acid: X-ray Structure, Quantum Chemical, and in Silico Studies

Karthik Chimatahalli Shanthakumar, Pruthvishree Guluvinaattiguppe Sridhara,Jothi Ramalingam Rajabathar,Hamad A. Al-lohedan,Neratur Krishnappagowda Lokanath, Hema Mylnahalli Krishnegowda

ACS OMEGAno. 19 (2024): 20753-20772

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Crystal Structure, Supramolecular Features and Antibacterial Activities of a Cu(Ii) Schiff Base Complex Using a Bidentate N2o2 Donor Schiff Base Ligand

A. H. Udaya Kumar, Mahesha, Kl Jyothi,Akil Ahmad,Mohammed B. Alshammari,Karthik Kumara,Nk Lokanath

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Selective Photocatalytic CO2 Reduction Through Plasmonic Z‐Scheme Ag‐Bi2O3‐ZnO Heterostructures

Gubran Alnaggar,Khaled Alkanad,Mohammed Abdullah Bajiri,Lokanath N. Krishnappagowda,Sannaiah Ananda,Qasem A. Drmosh

CHEMISTRYSELECTno. 19 (2024)

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Dinuclear Copper(ii) Complexes Bridged with Acetate and Nitrate Anions: Study of Protein Binding and In-Vitro Anticancer Activity

Sabiha A. Shaikh,Satish S. Bhat,Vidyanand K. Revankar,S. Naveen, Mahesha,N. K. Lokanath,Vijay Kumbar

INORGANICA CHIMICA ACTA (2024)

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A Novel Pyrazole Derivative As COVID-19 Main Protease Inhibitor: Synthesis, Quantum Computational Studies, Pharmacokinetic Properties, Drug Likeness, Molecular Docking and Dynamics Simulation; a CADD Approach

D. Rekharani,Naveen Shivalingegowda, Mahesha,M. V. Deepa Urs,B. S. Chethan,Lokanath Neratur Krishnappagowda

CHEMICAL PHYSICS IMPACT (2024)

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Exploration of One-Dimensional Hydrogen Bonding Organic Framework (1D-HOF) and Charge Transfer Dynamics in N’-benzylbenzohydrazide: A Comprehensive Structural and Quantum Computational Investigation

C. S. Karthik, N. Maithra,A. H. Udaya Kumar,Jothi Ramalingam Rajabathar, K. P. Sukrutha,M. K. Hema,N. K. Lokanath

JOURNAL OF MOLECULAR STRUCTURE (2024)

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