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Journal of Molecular Graphics & Modelling|July 1, 2022
Hydrophobic π-π stacking interactions and hydrogen bonds drive self-aggregation of luteolin in waterGeradius Deogratias, Daniel M Shadrack, Joan J E Munissi, et al.Journal of Molecular Graphics & Modelling|July 8, 2021
A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gapAkhtar Hussain, A BasitJournal of Molecular Graphics & Modelling|July 8, 2021
Thermal conductivity of random polycrystalline BC3 nanosheets: A step towards realistic simulation of 2D structuresSasan Fooladpanjeh, Farrokh Yousefi, Fatemeh Molaei, et al.Journal of Molecular Graphics & Modelling|July 10, 2021
Second-order NLO properties and two-state switching effects of transition metal redox complexes of iron and cobalt: A DFT studyTamseela Bibi, Tabish Jadoon, Shabbir Muhammad, et al.Journal of Molecular Graphics & Modelling|July 3, 2021
Tuning the optoelectronic properties of superalkali doped phosphoreneAyesha Hanif, Rida Kiran, Rasheed Ahmad Khera, et al.Journal of Molecular Graphics & Modelling|July 4, 2021
Crack pathway analysis in graphene-like BC3 nanosheets: Towards a deeper understandingAli Dadrasi, Sasan Fooladpanjeh, Kasra Einalipour Eshkalak, et al.Journal of Molecular Graphics & Modelling|June 20, 2021
Influence of curcumin and rosmarinic acid on disrupting the general properties of Alpha-Synuclein oligomer: Molecular dynamics simulationMahrokh Rezaei Kamelabad, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, et al.Journal of Molecular Graphics & Modelling|June 20, 2021
The vibronic absorption spectrum and electronic properties of Azure B in aqueous solution: TD-DFT/DFT studyLyudmila O Kostjukova, Svetlana V Leontieva, Victor V KostjukovJournal of Molecular Graphics & Modelling|December 28, 2020
Silver cluster (Ag6) decorated coronene as non-enzymatic sensor for glucose and H2O2Tabish Jadoon, Tariq Mahmood, Khurshid AyubJournal of Molecular Graphics & Modelling|December 28, 2020
Adsorption studies of nucleobases on ε-arsenene nanosheet based on first-principles researchV Nagarajan, S Sarvaka, R ChandiramouliPageof 408