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Journal of Molecular Modeling|August 2, 2015
Rational design of multifunctional star-shaped molecules with a 1,3,5-triazine core and different arms for application in organic light-emitting diodes and organic solar cellsRuifa JinJournal of Molecular Modeling|August 20, 2015
Facet shapes and thermo-stabilities of H₂SO₄•HNO₃ hydrates involved in polar stratospheric cloudsMarian Verdes, Miguel PaniaguaJournal of Molecular Modeling|August 21, 2015
Computational and spectroscopic data correlation study of N,N'-bisarylmalonamides (Part II)Violeta M Arsovski, Bojan Đ Božić, Jelena M Mirković, et al.Journal of Molecular Modeling|October 25, 2014
Interaction between phosphomolybdic anion and imidazolium cation in polyoxometalates-based ionic liquids: a quantum mechanics studyYi Zheng, Jun Liu, Xiaoning Yang, et al.Journal of Molecular Modeling|October 29, 2014
Computational study of antimalarial pyrazole alkaloids from Newbouldia laevisLiliana Mammino, Mireille K BilondaJournal of Molecular Modeling|July 31, 2015
Modelling of crystal structure of cis-1,2,3,6 and 3,4,5,6-tetrahydrophthalic anhydrides using lattice energy calculationsA Ben Fredj, G M DayJournal of Molecular Modeling|December 5, 2014
Aromaticity, response, and nonlinear optical properties of sumanene modified with boron and nitrogen atomsStevan Armaković, Sanja J Armaković, Jovan P Šetrajčić, et al.Journal of Molecular Modeling|November 19, 2014
Theoretical studies of palladium-catalyzed cycloaddition of alkynyl aryl ethers and alkynesQingxi Meng, Fen WangJournal of Molecular Modeling|October 30, 2014
Contribution of phenylalanine side chain intercalation to the TATA-box binding protein-DNA interaction: molecular dynamics and dispersion-corrected density functional theory studiesManas Mondal, Sanchita Mukherjee, Dhananjay BhattacharyyaJournal of Molecular Modeling|November 7, 2014
Characteristics of protein residue-residue contacts and their application in contact predictionPawel P Wozniak, Malgorzata KotulskaPageof 699