Yazar "Krishnan, Akhil R." için listeleme
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Density functional theory studies on 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone
Saleem, H.; Krishnan, Akhil R.; Erdogdu, Y.; Subashchandrabose, S.; Thanikachalam, V.; Manikandan, G. (ELSEVIER SCIENCE BV, 2011)The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone (BHMBC) have been investigated by using density functional theory ... -
FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine
Chandra, S.; Saleem, H.; Erdogdu, Y.; Subashchandrabose, S.; Krishnan, Akhil R.; Gulluoglu, M. T. (ELSEVIER, 2011)In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra of 4-amino-1-benzyl piperidine (4A1BP). The FT-IR and FT-Raman spectrum have been recorded in the region ... -
FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO-LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods
Subashchandrabose, S.; Krishnan, Akhil R.; Saleem, H.; Thanikachalam, V.; Manikandan, G.; Erdogdu, Yusuf (ELSEVIER, 2010)A combined experimental and theoretical studies were conducted on the molecular structure and vibrational spectra of bis(4-amino-5-mercapto-1,2,4-mazol-3-yl) ethane (BAMTE) The FT-IR and FT-Raman spectra of BAMTE were ...
