Browsing by Author Takahata, Yuji

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Showing results 1 to 10 of 10
PreviewIssue DateTitleAuthor(s)AdvisorType
1-Jan-20102D and 3D QSAR studies of the receptor binding affinity of progestinsVeras, Lea da Silva; Arakawa, Masamoto; Funatsu, Kimito; Takahata, Yuji-Artigo de periódico
1-Nov-2002Core electron binding energy (CEBE) shifts applied to structure activity relationship (SAR) analysis of neolignansCosta, M. Cristina A.; Takahata, Yuji-Artigo de periódico
1-Apr-2001Ionization energies, electron affinities and excitation energies of some steroid hormones calculated with the semiempirical HAM/3 methodTakahata, Yuji; Vendrame, Rosana-Artigo de periódico
1-Apr-2004Is HAM/3 (hydrogenic atoms in molecules, version 3) a semiempirical version of dft (density functional theory) for ionization processes?Takahata, Yuji; Chong, Delano P.; Segala, Maxmiliano-Artigo de periódico
1-Jun-2004Symmetry-adapted HAM/3 method and its application to some symmetric moleculesNarita, Susumu; Shibuya, Tai-ichi; Fujiwara, Fred Y.; Takahata, Yuji-Artigo de periódico
1-Dec-2002Estudo QSPR sobre os coeficientes de partição: descritores mecânico-quânticos e análise multivariadaBorges, Edilson Grünheidt; Takahata, Yuji-Artigo de periódico
1-Oct-1999Density-functional calculations of molecular electron affinitiesTakahata, Yuji; Chong, Delano P.-Artigo de periódico
-Comparison Between Neural Networks (nn) And Principal Component Analysis (pca): Structure Activity Relationships Of 1,4-dihydropyridine Calcium Channel Antagonists (nifedipine Analogues).Takahata, Yuji; Costa, Maria Cristina Andreazza; Gaudio, Anderson Coser-Artigo de periódico
2002Structure-activity Relationships (sar) Of Contraceptive Progestogens Studied With Four Different Methods Using Calculated Physicochemical Parameters.Vendrame, Rosana; Ferreira, Márcia M C; Collins, Carol H; Takahata, Yuji-Artigo de periódico
2006Theoretical And Experimental Study Of A Praziquantel And Beta-cyclodextrin Inclusion Complex Using Molecular Mechanic Calculations And H1-nuclear Magnetic Resonance.de Jesus, Marcelo Bispo; de Matos Alves Pinto, Luciana; Fraceto, Leonardo Fernandes; Takahata, Yuji; Lino, Antonio C S; Jaime, Carlos; de Paula, Eneida-Artigo de periódico