Scholars Research Library http://www.scholarsresearchlibrary.com/ The effects of globalization have driven tremendous changes within the research. Today, change is so rapid that the researchers have to keep itself aware with the latest discoveries, findings and research. rss//rss/jcmmd-volume-4-issue-4-year-2014.xml Journal of Computational Methods in Molecular Design Volume 4, Issue 4 https://www.scholarsresearchlibrary.com/articles/a-dft-study-of-oxidative-dehydrogenation-of-ethyl-benzene-to-styrene-over-zirconium-vanadate-catalyst.pdf A DFT study of oxidative dehydrogenation of ethyl benzene to styrene over zirconium vanadate catalyst Prabhakar Sharma, Reena Dwivedi, Rajiv Dixit, Manohar Singh Batra and Rajendra Prasad https://www.scholarsresearchlibrary.com/articles/qsar-modeling-of-hept-compounds-an-attempt-to-anti-hiv-drug-design.pdf QSAR modeling of HEPT compounds An attempt to anti HIV drug design Shubhra Sarkar and Sisir Nandi https://www.scholarsresearchlibrary.com/articles/theoretical-analysis-and-electronic-structure-of-conjugated-systems-based-on-pyrrole-photovoltaic-properties-and-optoele.pdf Theoretical analysis and electronic structure of conjugated systems based on pyrrole Photovoltaic properties and optoelectronic applications T. Abram, A. Adad, L. Bejjit, M. Bouachrine and T. Lakhlifi https://www.scholarsresearchlibrary.com/articles/stability-and-electronic-properties-of-transition-metal-antimonides-in-ionic-and-neutral-casetmmsbn-m-n12.pdf Stability and electronic properties of transition metal antimonides in ionic and neutral caseTMmSbn m n12 Abhishek Kumar Bajpai, Apoorva Dwivedi and Anoop Kumar Pandey https://www.scholarsresearchlibrary.com/articles/combining-dft-and-qsar-result-for-predicting-the-toxicity-of-a-series-of-substituted-phenols.pdf Combining DFT and QSAR result for predicting the toxicity of a series of substituted phenols M. Ghamali, S. Chtita, A. Adad, R. Hmamouchi, M. Bouachrine and T. Lakhlifi https://www.scholarsresearchlibrary.com/articles/relative-stability-of-thrombinhirudin-complex-is-illustrated-using-molecular-dynamics.pdf Relative stability of thrombinhirudin complex is illustrated using molecular dynamics Aparna N. Jadhav, Radha C. Dash and Raj R. Hirwani https://www.scholarsresearchlibrary.com/articles/superhalogen-properties-of-znfn-n--1-to-6-nanoclusters.pdf Superhalogen properties of ZnFn n 1 to 6 nanoclusters Ambrish Kumar Srivastava and Neeraj Misra https://www.scholarsresearchlibrary.com/articles/theoretical-study-of-nho-and-ohn-intramolecular-hydrogen-bonds-in-the-derivatives-of-4aminomethylene1methylpyrazolin5one.pdf Theoretical study of NHO and OHN intramolecular hydrogen bonds in the derivatives of 4aminomethylene1methylpyrazolin5one and its imine tautomer Zaki S. Safi https://www.scholarsresearchlibrary.com/articles/a-theoretical-study-of-the-relationships-between-electronic-structure-and-cytotoxicity-of-a-group-of-n2alkylated-quatern.pdf A Theoretical Study of the Relationships between Electronic Structure and Cytotoxicity of a group of N2alkylated Quaternary Carbolines against nine Tumoral Cell Lines Fernando Gatica-D�­az and Juan S. G�³mez-Jeria https://www.scholarsresearchlibrary.com/articles/predicting-biological-activity-of-chalcone-13diphenyl2propen1one-derivatives-cytotoxicity-against-ht29-human-colon-adeno.pdf Predicting biological activity of chalcone 13diphenyl2propen1one derivatives cytotoxicity against HT29 human colon adenocarcinoma cell linesby by DFTQSAR models Majdouline Larif, Samir Chtita, Azeddine Adad, Rachid Hmamouchi, Mohammed Bouachrine and Tahar Lakhlifi https://www.scholarsresearchlibrary.com/articles/prediction-on-binding-affinity-of-some-selected-coumarin-and-anthraquinone-derivatives-on-cysteine-rich-c1-domain-of-kin.pdf Prediction on Binding affinity of some selected Coumarin and Anthraquinone Derivatives on Cysteine Rich C1 Domain of Kinase Suppressor of RAS1KSR1 of MAPK signaling pathway Dhananjayan Karthik https://www.scholarsresearchlibrary.com/articles/combining-dft-and-qsar-result-for-predicting-the-biological-activity-of-12ethoxyethyl1hpyrazolo43dpyrimidines-as-phospho.pdf Combining DFT and QSAR result for predicting the biological activity of 12ethoxyethyl1Hpyrazolo43dpyrimidines as phosphodiesterase V inhibitors B. Elidrissi, A. Ousaa, M. Ghamali, S. Chtita, M. A. Ajana, M. Bouachrine and T. Lakhlifi