Multiscale modeling of enzymes: QM‐cluster, QM/MM, and QM/MM/MD: A tutorial review von Ahmadi, Shideh, Barrios Herrera, Lizandra, Chehelamirani, Morteza, Hostaš, Jiří, Jalife, Said, Salahub, Dennis R.

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Theoretical Investigation of 6‑Mercaptopurine Isomers’ Adsorption on the Au(001) Surface: Revealing the Fate of Different Isomers von Ren, Hongjiang, Cao, Xinwei, Zhang, Yahuang, Chehelamirani, Morteza, Salahub, Dennis R

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Self-assembly synthesis of 3D graphene/nano-Fe3O4 hybrid aerogels with improved mechanical and thermal properties von Jalaly, Maisam, Hosseini, Reza, Bakhshi, Ali, Chehelamirani, Morteza

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Binder-free P-doped Ni-Se nanostructure electrode toward highly active and stable hydrogen production in wide pH range and seawater von Maleki, Meysam, Sabour Rouhaghdam, Alireza, Barati Darband, Ghasem, Han, Dabin, Chehelamirani, Morteza, Shanmugam, Sangaraju

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Electronic properties of carbon nanotubes complexed with a DNA nucleotideElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08376e von Chehelamirani, Morteza, da Silva, Maurício C, Salahub, Dennis R

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Enhanced Settling and Dewatering of Oil Sands Mature Fine Tailings with Titanomagnetite Nanoparticles Grafted with Polyacrylamide and Lauryl Sulfate von Hethnawi, Afif, Karaki, Taha, Keteklahijani, Yalda Zamani, Chehelamirani, Morteza, Hassan, Azfar, Nassar, Nashaat N.

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Simultaneous removal of silica and TOC from steam assisted gravity drainage (SAGD) produced water using iron-hydroxide-coated walnut shell filter media von Hethnawi, Afif, Hashlamoun, Kotaybah, Sessarego, Sebastian, Chehelamirani, Morteza, Nassar, Nashaat N.

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Effect of dispersion corrections on covalent and non-covalent interactions in DFTB calculations von Chehelamirani, Morteza, Salahub, Dennis R.

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Electronic properties of carbon nanotubes complexed with a DNA nucleotide von Chehelamirani, Morteza, da Silva, Maurício C, Salahub, Dennis R

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