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Journal of Computational Chemistry|April 12, 2002
Assessment of the parallelization approach of d2_cluster for high-performance sequence clusteringJohn E Carpenter, Alan Christoffels, Yael Weinbach, et al.Journal of Computational Chemistry|December 13, 2005
Activation barriers for DNA alkylation by carcinogenic methane diazonium ionsKaushalya S Ekanayake, Pierre R LebretonJournal of Computational Chemistry|December 21, 2005
Theoretical studies on electron delocalization in diaminoguanidinePrasad V Bharatam, Pansy IqbalJournal of Computational Chemistry|December 21, 2005
Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomersInmaculada García Cuesta, Alfredo M J Sánchez De Merás, Paolo LazzerettiJournal of Computational Chemistry|November 4, 2009
Restricted dead-end elimination: protein redesign with a bounded number of residue mutationsMaria Safi, Ryan H LilienJournal of Computational Chemistry|June 13, 2025
Xylopyranose Ring-Opening by Single and Double Proton Transfers Under Pyrolysis ConditionsJacopo Lupi, Bernardo Ballotta, Leandro Ayarde-Henríquez, et al.Journal of Computational Chemistry|July 18, 2025
Topology-Induced Modifications in the Critical Behavior of the Yaldram-Khan Catalytic Reaction ModelPaulo F Gomes, Henrique A Fernandes, Roberto da SilvaJournal of Computational Chemistry|July 21, 2025
Atomization Energy Calculations in 13-Atom Alkali Metal Clusters: Is There an Appropriate Exchange-Correlation Functional?Wagner F D Angelotti, Lucila C Z Angelotti, Roberto L A HaidukeJournal of Computational Chemistry|July 14, 2025
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in EnzymesJosé Luís Velázquez-Libera, Rodrigo Recabarren, David Adrian Saez, et al.Journal of Computational Chemistry|July 10, 2025
Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap ModelRodolfo A Santos, Carlos V Santos-, Eduardo C Aguiar, et al.Pageof 598