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Journal of Molecular Modeling|March 9, 2017
Quantum Monte Carlo with density matrix: potential energy curve derived propertiesVíctor S Bonfim, Nádia M Borges, João B L Martins, et al.Journal of Molecular Modeling|March 30, 2019
Computational study on acetamiprid-molecular imprinted polymerCamilla F Silva, Keyller B Borges, Clebio S NascimentoJournal of Molecular Modeling|April 1, 2019
A DFT study on catalytic oxidative desulfurization with H2O2 over Ti-MWW zeoliteHanlu Wang, Mei Yu, Zhigeng LinJournal of Molecular Modeling|March 2, 2021
Formation enthalpies and dilute heats of HCP-HCP disordered binary alloys: modified ones of embedded atom method potentialsHak-Son Jin, Song-Nam Ho, Hyok-Chol Ri, et al.Journal of Molecular Modeling|March 16, 2021
Computational study of oxidation mechanism of mineral green pigmentsXiaoke Yin, Xiaojun LiJournal of Molecular Modeling|November 6, 2021
Comment on "Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts"Sergey GusarovJournal of Molecular Modeling|November 9, 2021
Ab initio simulations of black and blue phosphorene functionalised with chemical groups for biomolecule anchoringCristian M Ledur, Ivana Zanella, Solange B FaganJournal of Molecular Modeling|March 11, 2021
Structure and dynamics analysis of multi-domain putative β-1,4-glucosidase of family 3 glycoside hydrolase (PsGH3) from Pseudopedobacter saltansPriyanka Nath, Arun GoyalJournal of Molecular Modeling|October 26, 2012
Nitrous oxide adsorption on pristine and Si-doped AlN nanotubesJavad Beheshtian, Mohammad T Baei, Ali Ahmadi Peyghan, et al.Journal of Molecular Modeling|October 31, 2012
In silico characterization of a novel β-1,3-glucanase gene from Bacillus amyloliquefaciens--a bacterial endophyte of Hevea brasiliensis antagonistic to Phytophthora meadiiAmith Abraham, Sunilkumar Puthenpurackal Narayanan, Shaji Philip, et al.Pageof 695