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By Chatterjee Abhijit   Iwasaki Takashi   Ebina Takeo  

International Journal of Molecular Sciences, Vol. 2, Iss. 2, 2001-05 ,pp. : 40-56

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The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study

By Chandra Asit K.   Uchimaru Tadafumi  

International Journal of Molecular Sciences, Vol. 3, Iss. 4, 2002-04 ,pp. : 407-422

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Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by ab initio MO Calculation

By Hori S.   Yamauchi K.   Kuroki S.   Ando I.  

International Journal of Molecular Sciences, Vol. 3, Iss. 8, 2002-08 ,pp. : 907-913

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Studies on Electronic Charge of the Hydrogen Bond Proton in Model Molecular Systems

By Chojnacki Henryk  

International Journal of Molecular Sciences, Vol. 4, Iss. 7, 2003-06 ,pp. : 481-485

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Improving the Accuracy of Density Functional Theory (DFT) Calculation for Homolysis Bond Dissociation Energies of Y-NO Bond: Generalized Regression Neural Network Based on Grey Relational Analysis and Principal Component Analysis

By Li Hong Zhi   Tao Wei   Gao Ting   Li Hui   Lu Ying Hua   Su Zhong Min  

International Journal of Molecular Sciences, Vol. 12, Iss. 4, 2011-04 ,pp. : 2242-2261

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