Dr. K. Srishailam

Vijayarangan M, K. Srishailam, Sangamithirai M, Arunkumar K, Alagar M, Jayabharathi J Development of Gd-tuned spinel nano-ferrite catalyst for water splitting using sustainable solar energy Journal of Materials Chemistry A (Royal Society of Chemistry) 10.1039/d6ta04509j (2026)

Naresh. B, K. Srishailam, N. Hari Kumar, J. Laxman Naik Impact of Sm³⁺ Doping on Structural, Morphological, Electrical and Magnetic Behavior of Co–Zn Nano-Ferrites Prepared by Sol–Gel Technique Ceramics International (Elsevier Publishers) 10.1016/j.ceramint.2026.09.296 (2026)

Noha Ahmed Yahea Hussein Elayah, G. Vinod, N. Hari Kumar, Sandhya Kutikanti, Gaddameedi Hima Bindu, K. Srishailam, J. Laxman Naika Impact of annealing temperature and Ce³⁺ substitution on Co–Mn–Zn–Fe₂O₄ spinel Ferrite nanoparticles' structural, optical, magnetic, and photocatalytic activity Journal of the Indian Chemical Society (Elsevier Publishers) 10.1016/j.jics.2026.102892 (2026)

K. Suresh, K. Srishailam, S. Radhika, J. Sunil, A. Balakrishna, G. Ramana Rao Evaluation of Geometrical, Vibrational, Electronic and Other Molecular Parameters of Two Vinyl Sulfone Derivatives Using Experimental Spectroscopic and Computational Density Functional Theory Analyses Polycyclic Aromatic Compounds (Taylor & Francis) 10.1080/10406638.2025.2611786 (2026)

Muzzaffar Ahmad Bhat, Mandeep Kaur, Harpreet Kaur, Anoop Dev, Mohit Gupta, G. V. Siva Prasad, Aashna Sinha, Tahani M. Almutairi, Raymond J. Butcher, D Alex Anand, Laxmidhar Maharana, Kamal Joshi, Mohd Z Shaikh, K. Srishailam Theoretical analysis, chemosensing characteristics and molecular docking studies of t-butyl carbazate based novel aldimine Journal of Molecular Structure (Elsevier Publishers) 1344 (2025) 142761

J. Sunil, K. Srishailama, Thirunavukkarasu Muthu Kumar, G. Ramana Rao Understanding Molecular Level Properties of N(n-Butyl)-N'-[p-Chlorophenoxy) acetyl]Urea by Density Functional, Molecular Docking and Molecular Dynamics Computations Results in Chemistry (Elsevier Publishers) 16 (2025) 102492

K. Srishailam, L. Ravindranath, Gaddam Ramesh, D. Praveena, Sunil Kumar V, Danikonda Suresh Kumar, S. Muthu, G. Ramana Rao Molecular structure, UV–Visible spectra and other molecular properties of (E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazine carbothioamide and its n-methyl variant by using DFT methods Results in Chemistry (Elsevier Publishers) 13 (2025) 102026

Rayala Nagamani, Gaddam Ramesh, K. Srishailam, Myakala Nagaraju, Nandru Mohan Babu, Danikonda Suresh Kumar Synthesis, NMR, electronic properties using DFT study and anti-cancer activity of substituted N-Arylamine 3-methyl quinazolinone Journal of Molecular Structure (Elsevier Publishers) 1309 (2024) 138144

Sunil Kumar V, Krishna Murthy Potla, K. Srishailam, S. Kaleeswaran, Saleem Javed, S. Muthu Anti-fibrinolytic activity, electron delocalization, Vibrational spectra, Drug-Likeness properties and Bio-Activity studies on Anagrelide Results in Chemistry (Elsevier Publishers) 7 (2024) 101379

Sreenivas Boda, L. Ravindranath, K. Srishailam, G. Ramesh, Jai Kishan Ojha, B. Venkatram Reddy Monohalogenated methyl- and methoxy-benzoic acids: A combined experimental and quantum chemical theoretical study on their structure, vibrational analysis and molecular parameters Journal of Molecular Structure (Elsevier Publishers) 1298 (2024) 137078

K. Ramaiah, K. Srishailam, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao 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 Journal of Molecular Structure 1294 (2023) 136339

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

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

Miłosz Frydrych, Bogna Sztorch, Dariusz Brząkalski, Daria Pakuła, Robert E. Przekop, K. Srishailam, B. Venkatram Reddy, Bogdan Marciniec Silane moiety-bearing borasilsesquioxanes – synthetic protocol and unsuspected redistribution reactions ChemPlusChem 88 (1) (2023) e202200295

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

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

K. Srishailam, K. Ramaiah, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao 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 Molecular Simulation 48 (15) (2022) 1315-1329

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

K. Srishailam, K. Ramaiah, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao 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 Chemical Papers 75 (2021) 3635-3647

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

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

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

K. Ramaiah, K. Srishailam, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao 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, UV-Vis) and DFT methods and evaluation of its anticancer activity Journal of Molecular Structure 1184 (2019) 405-417

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

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

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