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Journal of Molecular Modeling|May 18, 2020
Theoretical study of rhodium(III)-catalyzed synthesis of benzoxepine and coumarinXinghui Zhang, Xi Wu, Shanshan Li, et al.Journal of Molecular Modeling|May 20, 2020
Selected arylsulphonyl pyrazole derivatives as potential Chk1 kinase ligands-computational investigationsKornelia Czaja, Jacek Kujawski, Karol Kamel, et al.Journal of Molecular Modeling|August 4, 2022
Spirothienoquinoline-based acceptor molecular systems for organic solar cell applications: DFT investigationZeeshana Bibi, Javed Iqbal, Rasheed Ahmad Khera, et al.Journal of Molecular Modeling|August 8, 2022
Structural transformation of methyl urotropine perchlorate under high pressureMeihua Zhao, Jun Cao, Jiani Xu, et al.Journal of Molecular Modeling|September 18, 2021
Molecular dynamics investigation of structure evolution and thermodynamics of Ni-Fe nanoparticles during inert gas condensationBei Li, Lei Pan, Changan Liu, et al.Journal of Molecular Modeling|September 13, 2021
Evaluation of the excited state dynamics, photophysical properties, and the influence of donor substitution in a donor- -acceptor systemHitler Louis, Linda P Ifediora, Obieze C Enudi, et al.Journal of Molecular Modeling|August 30, 2025
Predicting the detonation properties of energetic materials through phononsSi-Jia Lei, Wen-Shuo Yuan, Fu-Sheng Liu, et al.Journal of Molecular Modeling|August 30, 2025
Investigating the molecular mechanisms of phytochemicals targeting Ras-related C3 botulinum toxin substrate 1 (Rac1) to inhibit breast cancer metastasis via endoplasmic reticulum stress and Wnt-PCP signaling pathwayYingqi Dai, Yanyan Zhang, Shuchun Gao, et al.Journal of Molecular Modeling|August 25, 2025
Electrostatic field modulation of high-nitrogen heterocycles: a computational study on energy and stabilityPeng Zhang, MengJie Bo, YuQin Chu, et al.Journal of Molecular Modeling|August 25, 2025
The influence of mixed solvents on the morphology of ε-CL-20 crystalJianhua Wang, Shuya Wang, Jiaxuan Zhou, et al.Pageof 693