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       1. Computational Chemistry
Matthew N. O. Sadiku, Sarhan M. Musa and Osama M. Musa
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       2. Prompt criticality studies and prompt neutrons energy spectrum flux profile of Ghana’s miniature neutron source reactor core
B.J.B.Nyarko, R.B.M.Sogbadji, R.G.Abrefah, E.Mensimah, H.C.Odoi and E.Ampomah-Amoako
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       3. Vibrational spectroscopic (FT-IR and FT-Raman), Computational analyses of Molecular Structure and DFT Studies on o- cresols, m- cresols and p-cresols
P. Dinesh
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       4. Electronic structure investigations of 3 and 5- diamino-1,2,4-triazole by UV–Visible , NMR spectral studies and HOMO-LUMO analysis by ab initio and DFT calculations
D.Cecily Mary Glory, R.Madivanane and K.Sambathkumar
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       5. Vibrational spectral investigations of the Fourier transform infrared and Raman spectra of 2–methyl–6–nitroquinoline
C.Sengamalai, M.Arivazhagan and K.Sampathkumar
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       6. FTIR, FT-RAMAN, AB INITIO and DFT studies on 2-methoxy-6-methyl pyridine
K.Sambathkumar and G.Ravichandran
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       7. Synthesis, Characterization and Quantum Chemical studies of the mixed –ligand complex [Cu(bipy)2 S8] (ClO4)2
Oluwafunmilayo F. Adekunle, Nelson Obi-Egbedi, Banjo Semire and Olusegun A. Odunola
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       8. Experimental (FT-IR, FT-Raman, NMR) and computational (NLO, FMO, MEPS) investigation of methyl 2, 4-dihydroxy-6-methyl benzoate
P.Azantha Parimala, A.Tinabaye, R.Madivanane and Angeline Xavier
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       9. Analysis on vibrational spectra of Hexafluorobenzene based on density functional theory calculations
G.Raja, K.Saravanan and S.Sivakumar
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry
       10. Ab initio, DFT and TD-DFT electronic absorption spectra investigations on 3,5-diamino-1,2,4-triazole
I.B. Obot and A. S. Johnson
Abstract | Pdf Category : Chemical Sciences    |   Sub Category  : Computational Chemistry