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Journal of Molecular Modeling|July 27, 2005
H-bonded complexes between acetylacetone and two molecules of methanol: HF and DFT level studyVassil B Delchev, Hans MikoschJournal of Molecular Modeling|July 12, 2005
Reinvestigation of molecular structure and barrier to internal rotation of pyridinium N-phenolate betaine dyeWawrzyniec Niewodniczański, Wojciech Bartkowiak, Jerzy LeszczynskiJournal of Molecular Modeling|July 12, 2005
Computer modeling and analysis of heterogeneous structures of microporous carbonaceous materialsJan T Duda, Mirosław Kwiatkowski, Janina Milewska-DudaJournal of Molecular Modeling|May 5, 2005
DFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexesMariusz Mitoraj, Artur MichalakJournal of Molecular Modeling|May 13, 2005
An unusual feature of end-substituted model carbon (6,0) nanotubesPeter Politzer, Jane S Murray, Pat Lane, et al.Journal of Molecular Modeling|May 13, 2005
Effect of Pt and Sn on the adsorption of n-heptane in gamma-Al2O3 catalyst modelsBartłomiej Szyja, Jerzy Szczygieł, Iwona TymkówJournal of Molecular Modeling|May 13, 2005
Structural and functional characterization of AtPTR3, a stress-induced peptide transporter of ArabidopsisSazzad Karim, Dan Lundh, Kjell-Ove Holmström, et al.Journal of Molecular Modeling|May 19, 2005
Chiral recognition of aromatic compounds by beta-cyclodextrin based on bimodal complexationWensheng Cai, Yanmin Yu, Xueguang ShaoJournal of Molecular Modeling|September 1, 2005
Prediction of glass transition temperatures of OLED materials using topological indicesJie Xu, Biao ChenJournal of Molecular Modeling|May 3, 2005
Structure of glutathione S-transferase of the filarial parasite Wuchereria bancrofti: a target for drug development against adult wormSivaramakrishnan Thirumalai Nathan, Nisha Mathew, Muthuswami Kalyanasundaram, et al.Pageof 695