Molecular geometry, NBO analysis, Hyperpolarizability and HOMO-LUMO energies of 2-azido-1-phenylethanone using Quantum chemical calculations J Prashanth, G Ramesh, JL Naik, JK Ojha, BV Reddy Materials Today: Proceedings 3 (10), 3761-3769, 2016 | 51 | 2016 |
Synthesis, structural, biological evaluation, molecular docking and DFT studies of Co (II), Ni (II), Cu (II), Zn (II), Cd (II) and Hg (II) complexes bearing heterocyclic … R Konakanchi, J Haribabu, J Prashanth, VB Nishtala, R Mallela, ... Applied Organometallic Chemistry 32 (8), e4415, 2018 | 47 | 2018 |
Molecular structure, vibrational analysis and first order hyperpolarizability of 4-methyl-3-nitrobenzoic acid using density functional theory J Prashanth, G Ramesh, JL Naik, JK Ojha, BV Reddy, GR Rao Optics and Photonics Journal 5 (3), 91-107, 2015 | 32 | 2015 |
Design and synthesis of purine connected piperazine derivatives as novel inhibitors of Mycobacterium tuberculosis S Konduri, J Prashanth, VS Krishna, D Sriram, JN Behera, D Siegel, ... Bioorganic & Medicinal Chemistry Letters 30 (22), 127512, 2020 | 24 | 2020 |
Unusual coordination mode of aroyl/acyl thiourea ligands and their π-arene ruthenium(II) piano-stool complexes:Synthesis, molecular geometry, theoretical studies and biological … SA Rohini Gandhaveeti, Ramaiah Konakanchi, Prashanth Jyothi, Nattami S. P ... Applied Organometallic Chemistry e4899 33 (5), 1-13, 2019 | 24* | 2019 |
Synthesis, structural, spectroscopic, anti-cancer and molecular docking studies on novel 2-[(Anthracene-9-ylmethylene) amino]-2-methylpropane-1, 3-diol using XRD, FTIR, NMR, UV … P Pavitha, J Prashanth, G Ramu, G Ramesh, K Mamatha, BV Reddy Journal of Molecular Structure 1147, 406-426, 2017 | 24 | 2017 |
Design and Synthesis of Antimicrobial Active (E)‐(3‐(Substituted‐styryl)‐7H‐furo [2, 3‐f] chromen‐2‐yl)(phenyl) methanone Derivatives and Their In Silico Molecular Docking Studies S Boddupally, P Jyothi, MVB Rao, KP Rao Journal of Heterocyclic Chemistry 56 (1), 73-80, 2019 | 20 | 2019 |
Structural elucidation, theoretical investigation, biological screening and molecular docking studies of metal (II) complexes of NN donor ligand derived from 4-(2-aminopyridin … R Konakanchi, GS Pamidimalla, J Prashanth, T Naveen, LR Kotha BioMetals 34, 529-556, 2021 | 17 | 2021 |
Sacubitril‐Based Urea and Thiourea Derivatives as Novel Inhibitors for Anti‐Tubercular against Dormant Tuberculosis S Konduri, V Pogaku, J Prashanth, V Siva Krishna, D Sriram, S Basavoju, ... ChemistrySelect 6 (16), 3869-3874, 2021 | 17 | 2021 |
Design and Synthesis of “Chloropicolinate Amides and Urea Derivatives” as Novel Inhibitors for Mycobacterium tuberculosis S Konduri, D Bhargavi, J Prashanth, VS Krishna, D Sriram, KP Rao ACS omega 6 (2), 1657-1667, 2021 | 17 | 2021 |
Vibrational spectroscopic (FT-IR, FT-Raman), anti-inflammatory, docking and molecular characteristic studies of Ni (II) complex of 2-aminonicotinaldehyde using theoretical and … K Ramaiah, J Prashanth, J Haribabu, KE Srikanth, BV Reddy, ... Journal of Molecular Structure 1175, 769-781, 2019 | 16 | 2019 |
Study on structure, vibrational analysis and molecular characteristics of some halogen substituted azido-phenylethanones using FTIR spectra and DFT J Prashanth, BV Reddy Journal of Molecular Structure 1155, 582-597, 2018 | 16 | 2018 |
Investigation of torsional potentials, molecular structure, vibrational properties, molecular characteristics and NBO analysis of some bipyridines using experimental and … J Prashanth, BV Reddy, GR Rao Journal of Molecular Structure 1117, 79-104, 2016 | 15 | 2016 |
Investigation of Structures, FTIR, FT-Raman, In Vivo Anti-Inflammatory, Molecular Docking and Molecular Characteristics of 2-Amino-3-Pyridine Carboxaldehyde and Its Copper(II … KRJPKL Reddy poly aromatic compounds, 2020 | 13* | 2020 |
Experimental and theoretical analyzes on structural (monomer and dimeric form), spectroscopic and electronic properties of an organic semiconductor 2,6-dimethoxyanthracene JLJP K Eswar Srikanth, K Ramaiah, D Jagadeeswara rao, K Prabhakara Rao Indian journal of Physics, 1-15, 2019 | 11* | 2019 |
Molecular structure, vibrational analysis, hyperpolarizability and NBO analysis of 3-methyl-picolinic acid using SQM calculations G Ramesh, J Prashanth, J Laxman Naik, B Venkatram Reddy Journal of Structural Chemistry 59, 1022-1031, 2018 | 11 | 2018 |
Barrier potentials, molecular structure, force filed calculations and quantum chemical studies of some bipyridine di-carboxylic acids using the experimental and theoretical … J Prashanth, R Konakanchi, B Venkatram Reddy Molecular Simulation 45 (16), 1353-1383, 2019 | 10 | 2019 |
Experimental and theoretical study of 3-methyl-4-nitrobenzoic acid using DFT and IVP methods J Prashanth, JK Ojha, BV Reddy, GR Rao Journal of Physics: Conference Series 759 (1), 012057, 2016 | 10 | 2016 |
Zinc (II) complex: Spectroscopic, physicochemical calculations, anti-inflammatory and in silico molecular docking studies R Konakanchi, KP Rao, GN Reddy, J Prashanth Journal of Molecular Structure 1263, 133070, 2022 | 7 | 2022 |
Synthesis, spectroscopic, and DFT quantum chemical studies of 3-and 4-pyridylacetonitriles PR Reddy, J Prashanth, B Prasanna, BV Reddy Journal of Molecular Structure 1176, 447-460, 2019 | 7 | 2019 |