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Journal of Computational Chemistry|November 6, 2026
Sc2@C66. Spherical Aromaticity in a Markedly Ellipsoidal Endohedral Metallic FullereneDesmond Macleod-Carey, Alvaro Muñoz-CastroJournal of Computational Chemistry|July 18, 2003
Alcohols, ethers, carbohydrates, and related compounds. IV. CarbohydratesJenn-Huei Lii, Kuo-Hsiang Chen, Norman L AllingerJournal of Computational Chemistry|June 27, 2003
Design and training of a neural network for predicting the solvent accessibility of proteinsShandar Ahmad, M Michael GromihaJournal of Computational Chemistry|September 10, 2003
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solutionRamkumar Rajamani, Kevin J Naidoo, Jiali GaoJournal of Computational Chemistry|September 10, 2003
Direct INDO/SCI method for excited state calculationsAimée Tomlinson, David YaronJournal of Computational Chemistry|September 10, 2003
Novel topological index F based on incidence matrixFeng Yang, Zhen-Dong Wang, Yun-Ping Huang, et al.Journal of Computational Chemistry|June 24, 2003
Performance of hybrid methods for large-scale unconstrained optimization as applied to models of proteinsB Das, H Meirovitch, I M NavonJournal of Computational Chemistry|October 7, 2010
Transport properties of graphene nanoribbon-based molecular devicesZongling Ding, Jun Jiang, Huaizhong Xing, et al.Journal of Computational Chemistry|October 7, 2010
Computational study of static first hyperpolarizability of donor-acceptor substituted (E)-benzaldehyde phenylhydrazoneShih-I LuJournal of Computational Chemistry|October 14, 2010
Looking for high energy density compounds applicable for propellant among the derivatives of DPO with -N3, -ONO2, and -NNO2 groupsGui-Xiang Wang, Xue-Dong Gong, Yan Liu, et al.Pageof 598