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Journal of Molecular Modeling|June 1, 2015
Ligand effects due to resonance character in LAuCCH(-) (L = F, Cl, Br, I, CCH) complexes: an NBO/NRT analysisGuiqiu Zhang, Hui Wang, Huanjing Yue, et al.Journal of Molecular Modeling|June 4, 2015
Simulation and experimental analysis of nanoindentation and mechanical properties of amorphous NiAl alloysChih-Hao Wang, Te-Hua Fang, Po-Chien Cheng, et al.Journal of Molecular Modeling|June 7, 2015
Specific distributions of anions and cations of an ionic liquid through confinement between graphene sheetsMahtab Alibalazadeh, Masumeh ForoutanJournal of Molecular Modeling|July 17, 2015
Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategyAijaz Rasool Chaudhry, R Ahmed, Ahmad Irfan, et al.Journal of Molecular Modeling|July 16, 2016
The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol-water heterohexamersSol M Mejía, Juan F Espinal, Matthew J L Mills, et al.Journal of Molecular Modeling|July 23, 2016
A probabilistic approach for estimating water permeability in pressure-driven membranesLinkel K Boateng, Ramin Madarshahian, Yeomin Yoon, et al.Journal of Molecular Modeling|April 13, 2020
A theoretical evaluation on free radical scavenging activity of 3-styrylchromone derivatives: the DFT studyEmre Çakmak, Dilara Özbakır IşınJournal of Molecular Modeling|May 1, 2020
Theoretical investigation on bond and spectrum of cyclo[18] carbon (C18) with sp-hybridizedShuhong Xu, Fan Liu, Jingkun Xu, et al.Journal of Molecular Modeling|April 23, 2020
On the origin of the shift between vertical excitation and band maximum in molecular photoabsorptionShuming Bai, Ritam Mansour, Ljiljana Stojanović, et al.Journal of Molecular Modeling|May 30, 2020
Electric double layer formation and storing energy processes on graphene-based supercapacitors from electrical and thermodynamic perspectivesEudes Eterno FiletiPageof 698