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  DOI: 10.4236/cc.2018.64007  1,117 Downloads   2,729 Views   Citations
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• Quantum Mechanical Study on the π-π Stacking Interaction and Change in Conformation of Phenolic Systems with Different Intermolecular Rotations ()
  Ibrahim Ali, Shruti Sharma, Bipul Bezbaruah
  Computational Chemistry Vol.6 No.4,  October 20, 2018
  DOI: 10.4236/cc.2018.64006  1,709 Downloads   4,351 Views   Citations
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• Theoretical Study by Density Functional Theory Method (DFT) of Stability, Tautomerism, Reactivity and Prediction of Acidity of Quinolein-4-One Derivatives ()
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  Computational Chemistry Vol.6 No.3,  July 25, 2018
  DOI: 10.4236/cc.2018.63005  1,727 Downloads   4,887 Views   Citations
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• Conversion of 3,4-Dihydroxypyrrolidine-2,5-Dione to Maleimide through Tosylation and Mechanism Study by DFT ()
  Maocai Yan, Zhen Zhang, Jinhui Zhou, Wei Li, Shuai Fan, Zhaoyong Yang
  Computational Chemistry Vol.6 No.3,  July 23, 2018
  DOI: 10.4236/cc.2018.63004  1,454 Downloads   3,092 Views   Citations
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• Molecular Structure, Electronic Structure, Properties and Analyses of Five Azopyridine Ruthenium Complexes α-Cl, β-Cl, γ-Cl, δ-Cl and ε-Cl of RuCl₂(4,6-Dimethyl-Phenylazopyridine)₂ as Potential Cancer Drugs: DFT and TD-DFT Investigations ()
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  Computational Chemistry Vol.6 No.3,  July 4, 2018
  DOI: 10.4236/cc.2018.63003  1,126 Downloads   3,244 Views   Citations
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• Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes ()
  Shruti Sharma, Mrinal J Bezbaruah, Ibrahim Ali, Mahasweta Choudhury, Bipul Bezbaruah
  Computational Chemistry Vol.6 No.2,  April 30, 2018
  DOI: 10.4236/cc.2018.62002  1,422 Downloads   4,531 Views   Citations
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• Quantum Chemical Studies of Some Hydrazone Derivatives ()
  Mahougbe T. A. Kpota Houngue, Maurice N’bouke, Bardieu Atchade, Rodrigue Chabi Doco, Urbain A. Kuevi, Gaston A. Kpotin, Salomé D. S. Kpoviessi, Yacole G. S. Atohoun, Michael Badawi, Jean-Baptiste Mensah
  Computational Chemistry Vol.6 No.1,  February 28, 2018
  DOI: 10.4236/cc.2018.61001  1,145 Downloads   2,896 Views   Citations
  This article belongs to the Special Issue on