Global Science Press: Vol. 3 (2015), Issue 1

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Vol. 3 (2015), Issue 1

Vol. 3 (2015), Issue 1

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Year: 2015

Communications in Computational Chemistry, Vol. 3 (2015)

Theoretical Confirmation of the Excited State Intramolecular Proton Transfer and Twisting Process of 1-Hydroxy-2-Acetonaphthone in Solution: A TDDFT Study

Journal Article

Theoretical Confirmation of the Excited State Intramolecular Proton Transfer and Twisting Process of 1-Hydroxy-2-Acetonaphthone in Solution: A TDDFT Study

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 1–10

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A Theoretical Investigation of the Adsorption Activity of DNL-6 by DFT Method

Journal Article

A Theoretical Investigation of the Adsorption Activity of DNL-6 by DFT Method

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 11–17

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Change in Energy of Intermolecular Hydrogen Bonds Upon Excitation of Coumarin 120 in Water: A Combined Time-dependent Density Functional Theory/Effective Fragment Potential Study

Journal Article

Change in Energy of Intermolecular Hydrogen Bonds Upon Excitation of Coumarin 120 in Water: A Combined Time-dependent Density Functional Theory/Effective Fragment Potential Study

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 18–33

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