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Journal of Computational Chemistry|October 12, 2018
Quantum dynamics of vibration-vibration energy transfer for vibrationally excited HF colliding with H2Dongzheng Yang, Xixi Hu, Daiqian XieJournal of Computational Chemistry|June 6, 2019
Improving efficiency of semi-direct møller-plesset second-order perturbation methods through oversubscription on multiple nodesEllie L Fought, Vaibhav Sundriyal, Masha Sosonkina, et al.Journal of Computational Chemistry|March 15, 2012
Monomeric adenine decay dynamics influenced by the DNA environmentYou Lu, Zhenggang Lan, Walter ThielJournal of Computational Chemistry|October 10, 2018
Computational insight into excited states of the ring-opening radicals from the pyrolysis of furan biofuelsYuanyuan Li, Yanzhen Gan, Zexing CaoJournal of Computational Chemistry|November 1, 2018
Accurate heats of formation of polycyclic saturated hydrocarbons predicted by using the XYG3 type of doubly hybrid functionalsIgor Ying Zhang, Jianming Wu, Xin XuJournal of Computational Chemistry|January 23, 2020
Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic moleculesAdam A E Fouda, Nicholas A BesleyJournal of Computational Chemistry|November 22, 2019
Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates: An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS DataCameron D Smith, Amir KartonJournal of Computational Chemistry|March 21, 2020
Fragmentation at sp2 carbon atoms in fragment molecular orbital methodYoshinobu Akinaga, Koichiro Kato, Tatsuya Nakano, et al.Journal of Computational Chemistry|December 4, 2019
Quantum Chemical Exploration of Intermolecular Reactions of AcetyleneKoichi Ohno, Takuto Oki, Hideo YamakadoJournal of Computational Chemistry|July 20, 2019
Development of dissociative force field for all-atomistic molecular dynamics calculation of fracture of polymersKazushi Fujimoto, Rajadeep Singh Payal, Tomonori Hattori, et al.Pageof 598