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Journal of Molecular Modeling|August 3, 2014
Phonon density of states from the experimental heat capacity: an improved distribution function for solid aluminium using an inverse frameworkÉderson D'M Costa, Nelson H T Lemes, Márcio O Alves, et al.Journal of Molecular Modeling|August 3, 2014
Multiscale simulations of the structure and dynamics of stereoregular poly(methyl methacrylate)sChaofu WuJournal of Molecular Modeling|August 9, 2014
Multi-reference Hartree-Fock configuration interaction calculations of LiH and Be using a new double-zeta atomic baseAntonio Moreira de Cerqueira Sobrinho, Micael Dias de Andrade, Marco Antônio Chaer Nascimento, et al.Journal of Molecular Modeling|August 10, 2014
De novo tertiary structure prediction using RNA123--benchmarking and application to MacugenEmma S E Eriksson, Lokesh Joshi, Martin Billeter, et al.Journal of Molecular Modeling|July 16, 2014
Substituent effects in hydrogen bonding: DFT and QTAIM studies on acids and carboxylates complexes with formamideBorys OśmiałowskiJournal of Molecular Modeling|July 18, 2014
Tunable electronic properties of ultra-thin boron-carbon-nitrogen heteronanotubes for various compositionsYue Wang, Gang Huang, Juan Zhang, et al.Journal of Molecular Modeling|July 18, 2014
Theoretical study of adsorption of nitrogen-containing environmental contaminants on kaolinite surfacesAndrea Michalkova Scott, Elizabeth A Burns, Frances C HillJournal of Molecular Modeling|July 18, 2014
Role of pH in structural changes for Pin1 protein: an insight from molecular dynamics studyYu Wang, Lei Xi, Jie Yao, et al.Journal of Molecular Modeling|August 14, 2014
Spectroscopic and quantum mechanical investigation of N,N'-bisarylmalonamides: solvent and structural effectsVioleta M Arsovski, Bojan Đ Božić, Jelena M Mirković, et al.Journal of Molecular Modeling|August 15, 2014
A computational study of hydrogen bonds in intermolecular systems of high complexity: arachno-pentaborane(11)···Y with Y = O2 and N 2Abedin Zabardasti, Hamid Goudarziafshar, Maryam Salehnassaj, et al.Pageof 695