K. Srishailam

发表

Experimental and density functional theory study on structure, vibrational and molecular characteristics of 2-chloro-5-methylpyrimidine and 2,4-dichloro-5-methylpyrimidine

Jai Kishan Ojha, B. Venkatram Reddy, B. Sreenivas, 2022, Molecular Simulation.

Investigation of torsional potentials, hindered rotation, molecular structure and vibrational properties of some biphenyl carboxaldehydes using spectroscopic techniques and density functional formalism

G. Rao, B. V. Reddy, K. Srishailam, 2019, Journal of Molecular Structure.

Electronic Spectra (Experimental and Simulated), and DFT Investigation of NLO, FMO, NBO, and MESP Characteristics of Some Biphenylcarboxaldehydes

B. Venkatram Reddy, G. Ramana Rao, L. Ravindranath, 2022, Polycyclic Aromatic Compounds.

Experimental and DFT Quantum Chemical Studies on Structural, Vibrational and Molecular Properties of Some Substituted 4-Phenylphenols

B. Venkatram Reddy, L. Ravindranath, K. Srishailam, 2022, Polycyclic Aromatic Compounds.

Synthesis and evaluation of molecular structure from torsional scans, study of molecular characteristics using spectroscopic and DFT methods of some thiosemicarbazones, and investigation of their anticancer activity

K. Ramaiah, G. Rao, K. Reddy, 2021, Chemical Papers.

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

K. Ramaiah, G. Rao, K. Reddy, 2019, Journal of Molecular Structure.

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. Ramaiah, B. Venkatram Reddy, G. Ramana Rao, 2022, Molecular Simulation.

Theoretical (DFT) and experimental (FT-IR & FT Raman) approach to investigate the molecular geometry and vibrational properties of 2,5- and 2,6-dihydroxytoluenes

G. Rao, P. V. K. Rao, B. V. Reddy, 2021 .

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

P. V. K. Rao, B. V. Reddy, K. Srishailam, 2023, Brazilian Journal of Physics.

Synthesis of Sr1-xBaxBi2B2O7 glass ceramics: A study for structure and characterization using experimental techniques and DFT method

G. Padmaja, G. P. Kumar, B. D. Raju, 2020 .

Structural and vibrational properties of pentabromophenol and pentafluorophenol: A spectroscopic investigation using density functional theory

G. Rao, P. V. K. Rao, B. V. Reddy, 2019, Journal of Molecular Structure.

Electronic, NLO, and thermodynamic parameters and frontier molecular orbital investigation of pentafluoro phenol and pentachloro thiophenol with DFT approach

P. Venkata Ramana Rao, K. Srishailam, A. Rajesh, 2020, IOP Conference Series: Materials Science and Engineering.

Experimental and theoretical determination of structural and vibrational properties of pentachlorophenol and pentachlorothiophenol

G. Rao, P. V. K. Rao, B. V. Reddy, 2019, Journal of Molecular Structure.

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

P. V. K. Rao, B. V. Reddy, K. Srishailam, 2023, Brazilian Journal of Physics.

Molecular characteristics of 1-benzhydrylazetidin-3-ol by time-dependent density functional theory analysis

P. Venkata Ramana Rao, B. Venkatram Reddy, L. Ravindranath, 2023, Materials Today: Proceedings.