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Journal of Computational Chemistry|July 6, 2010
Hydrogen-bond networks in finite ice nanotubesA M Tokmachev, R DronskowskiJournal of Computational Chemistry|July 6, 2010
Identifying and reducing error in cluster-expansion approximations of protein energiesSeungsoo Hahn, Orr Ashenberg, Gevorg Grigoryan, et al.Journal of Computational Chemistry|August 19, 2010
Nucleic acid sequence design via efficient ensemble defect optimizationJoseph N Zadeh, Brian R Wolfe, Niles A PierceJournal of Computational Chemistry|July 24, 2010
Optimization of a molecular mechanics force field for polyoxometalates based on a genetic algorithmBlandine Courcot, Adam J BridgemanJournal of Computational Chemistry|July 24, 2010
Adsorption of CO on oxygen preadsorbed neutral and charged gas phase Pd(4) clusters: A density functional studyBulumoni Kalita, Ramesh C DekaJournal of Computational Chemistry|July 28, 2010
An estimation method of binding free energy in terms of ABEEMσπ/MM and continuum electrostatics fused into LIE methodShu-Ling Chen, Dong-Xia Zhao, Zhong-Zhi YangJournal of Computational Chemistry|July 28, 2010
Understanding of bonding and mechanical characteristics of cementitious mineral tobermorite from first principlesDaniel Tunega, Ali ZaouiJournal of Computational Chemistry|July 28, 2010
The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliersJohn W Raymond, Daniel D Holsworth, Mehran JalaieJournal of Computational Chemistry|September 1, 2010
CABS-NMR--De novo tool for rapid global fold determination from chemical shifts, residual dipolar couplings and sparse methyl-methyl NOEsDorota Latek, Andrzej KolinskiJournal of Computational Chemistry|September 3, 2010
Structural, electronic, and magnetoresponsive properties of triangular lanthanide clusters and their free-standing nitridesAthanassios C Tsipis, Alexandros V StalikasPageof 598