Electronic, NLO, and thermodynamic parameters and frontier molecular orbital investigation of pentafluorophenol and pentachlorothiophenol with DFT approach P. Venkata Ramana Rao, K. Srishailam, K.Rajesh,IOP Conference Series: Materials Science and Engineering, 2020, 98(2), 022087

NMR & electronic spectra, NLO, FMO, NBO and thermodynamic properties of pentachlorophenol: An experimental and theoretical investigation P. Venkata Ramana Rao, K. Srishailam,G. Ramesh, B. Venkatram Reddy, G. Ramana Rao,Asian Journal of Chemistry, 2020, 32(12),3057-3062,0.9(cite score)

Molecular characteristics of 1-benzhydrylazetidin-3-ol by time-dependent density functional theory analysis L. Ravindranath, P. Venkata Ramana Rao, K.Srishailam, B. Venkatram Reddy,Materials today :Proceedings, 3.2(cite score)

Experimental and theoretical determination of structural and vibrational properties ofpentachlorophenol and pentachlorothiophenol. K. Srishailam, P. Venkata Ramana Rao, L. Ravindranath, B. Venkatram Reddy, G. Ramana Rao,Journal of Molecular Structure 1178 (2019) 142-154 (Elsevier Publishers), IF:3.841

Structural and vibrational properties of pentabromophenol and pentafluorophenol: A spectroscopic investigation using density functional theory. P. Venkata Ramana Rao, K.Srishailam, L. Ravindranath, B. Venkatram Reddy, G. Ramana Rao ,Journal of Molecular Structure 1180 (2019) 665-675 (Elsevier Publishers),IF:3.841

Synthesis, crystal and molecular structure, and characterization of 2- ((2-aminopyridin-3-yl)methylene)-N-ethylhydrazinecarbothioamide using spectroscopic (1H and 13C NMR, FT-IR, FT-Raman, UVeVis) and DFT methods and evaluation of its anticancer activity. K. Ramaiah, K. Srishailam, K. Laxma Reddy, B. Venkatram Reddy,G. Ramana Rao,Journal of Molecular Structure 1184 (2019) 405-417 (Elsevier Publishers), IF:3.841

Investigation of torsional potentials, hindered rotation, molecular structure and vibrational properties of some biphenyl-carboxaldehydes using spectroscopic techniques and density functional formalism. K. Srishailam, B. Venkatram Reddy, G. Ramana Rao, Journal of Molecular Structure 1196 (2019) 139-161 (Elsevier Publishers),IF:3.841

Synthesis of Sr1-xBaxBi2B2O7 glass ceramics: A study for structure and characterization using experimental techniques and DFT method. G. Padmaja, G. Devarajulu, B. Deva Prasad Raju, G.R. Turpu, K. Srishailam, B. Venkatram Reddy, G. Pavan Kumar,Journal of Molecular Structure 1220 (2020) 128660 (Elsevier Publishers),IF:3.841

Theoretical (DFT) and experimental (FT-IR &FT Raman) approach to investigate the molecular geometry and vibrational properties of 2,5- and 2,6-dihydroxytoluenes. P.VenkataRamanaRao,K.Srishailam,B. Venkatram Reddy, G. Ramana Rao,Journalof Molecular Structure 1240(2021)130617 (Elsevier Publishers),IF:3.841

Synthesis, evaluation of molecular structure from torsional scans, study of vibrational and molecular characteristics using spectroscopic and DFT methods of some thiosemicarbazones and investigation of their anticancer activity . K. Srishailam, K. Ramaiah, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao,Chemical Papers 75 (2021) 3635-3647(Springer Publishers ),IF:2.146

Experimental and density functional theory study on structure, vibrational and molecular characteristics of 2- chloro-5-methylpyrimidine and 2,4-dichloro-5- methylpyrimidine B.Sreenivas, L.Ravindranath, K.Srishailam, B. Venkatram Reddy, Jai Kishan Ojha,Molecular Simulation(Taylor & Francis) 48(11) (2022)1017-1030, IF:2.178

DFT Simulation of barrier heights, infrared and Raman spectra, and investigation of Vibrational characteristics of 2-((2-aminopyridin-3-yl) methylene) hydrazinecarbothioamide and its N-methyl variant K. Srishailam, K. Ramaiah, K. Laxma Reddy, B.Venkatram Reddy, G. Ramana Rao,Molecular Simulation(Taylor & Francis) 48 (15)(2022)1315- 1329, IF:2.178

Electronic spectra (Experimental and Simulated), and DFT investigation of NLO, FMO, NBO and MESP characteristics of some biphenylcarboxaldehydes K. Srishailam, L. Ravindranath, B.Venkatram Reddy, G. Ramana Rao, Polycyclic Aromatic Compounds(Taylor & Francis) (2022)1-15, IF:2.195

Theoretical and experimental study of molecular structure, vibrational properties and molecular characteristics of some 4-phenylphenols L. Ravindranath, K. Srishailam, B.Venkatram Reddy, Polycyclic Aromatic Compounds(Taylor & Francis) 2022/12/30 (1-36), IF:2.195

Silane moiety-bearing borasilsesquioxanes – synthetic protocol and unsuspected redistribution reactions Mi?osz Frydrych, Bogna Sztorch, Dariusz Brz?kalski, Daria Paku?a, Robert E. Przekop, K. Srishailam, B. Venkatram Reddy, Bogdan Marciniec,ChemPlusChem 88 (1)(2023) e202200295 (Wiley-VCH), IF:3.21

Structure analysis using barrier potentials and hindered rotations, study of vibrational and molecular characteristics of some pyridine-carbaldehydes using experimental and theoretical methods. G. Ramesh, P. Venkata Ramana Rao, K. Srishailam and B. Venkatram Reddy,Brazilian Journal of Physics 53 (2)(2023)45 (Springer US Publishers ), IF:1.364

Insights into structural and vibrational characteristics of 1-methoxy-4-[2-(phenylsulfonyl)vinyl]benzene: an application of experimental vibrational spectroscopy and density functional theory K. Srishailam, A. Balakrishna, B. Venkatram Reddy, G. Ramana Rao, Journal of Molecular Structure (Elsevier Publishers) 1286(2023)135572 (Elsevier Publishers), IF:3.841

Insights into synthesis, structural, energetic, vibrational, anticancer activity and molecular characteristics of 2-((2-aminopyridin-3-yl)methylene)-N-phenylhydrazinecarbothioamide as evaluated using spectroscopic and DFT investigations K. Ramaiah, K. Srishailam, K. Laxma Reddy, B. Venkatram Reddy,G. Ramana Rao Journal of Molecular Structure 1294 (2023) 136339, IF:3.841