Journal of Theoretical & Computational Science
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ISSN: 2376-130X

Volumen 2, Ausgabe 4 (2015)

Forschungsartikel

Spectroscopic Investigation of the Stimulus of NLO Property on Acetone Thiosemicarbazone Using Computational [HF and DFT] Confinement

Moorthy N, Jobe Prabakar PC, Ramalingam S, Periandy S and Pandian GV

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Vibrational Analysis and NLO Impact of Coordinate Covalent Bond on Bis (Thiourea) Cadmium Bromide: A Comparative Computational Study

Anand S, Durga R, Sundararajan RS, Ramachandraraja C and Ramalingam S

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Spectroscopic Aspects, Structural Elucidation, Vibrational and Electronic Investigations of 2-Methoxy-1,3-Dioxolane: An Interpretation Based on DFT and QTAIM Approach

Prabaharan A and Xavier JR

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O-Vanillin and Some of its Novel Schiff Bases: A Cheminformatic Approach to Identify their Biological Functions

Joseph VA, Georrge JJ, Pandya JH and Jadeja RN

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Change Detection of Medical Images for Three Dimensional Volumetric Data

Nika V, Babyn P and Zhu H

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Medium Effect on Solvation Free Energy, Dipole Moment and Molecular Reactivity of Naproxen

Mohammad FK and Ridwan BR

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Mathematical Model of Complete Shallow Water Problem with Source Terms, Stability Analysis of Lax-Wendroff Scheme

Florence T Namio, Eric Ngondiep, Romaric Ntchantcho and Jean C Ntonga

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