Literature DB >> 20386824

Strong adsorption of aminotriazines on graphene.

James D Wuest1, Alain Rochefort.   

Abstract

DFT calculations reveal that aminotriazines have a strong affinity for graphite and suggest that part of the driving force for adsorption is a specific attractive interaction of NR(2) groups with the underlying surface.

Entities:  

Year:  2010        PMID： 20386824     DOI： 10.1039/b926286e

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  4 in total

1.  Simple benzene derivatives adsorption on defective single-walled carbon nanotubes: a first-principles van der Waals density functional study.

Authors:  Masoud Darvish Ganji; Maryam Mohseni; Anahita Bakhshandeh
Journal:  J Mol Model       Date:  2012-11-01       Impact factor: 1.810

2.  Modeling the physisorption of bisphenol A on graphene and graphene oxide.

Authors:  Diego Cortés-Arriagada; Luis Sanhueza; Mireya Santander-Nelli
Journal:  J Mol Model       Date:  2013-05-31       Impact factor: 1.810

3.  Anti-Symmetric Electromagnetic Interactions' Response in Electron Circular Dichroism and Chiral Origin of Periodic, Complementary Twisted Angle in Twisted Bilayer Graphene.

Authors:  Guoqiang Dai; Xiangtao Chen; Ying Jing; Jingang Wang
Journal:  Molecules       Date:  2022-10-02       Impact factor: 4.927

4.  Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2.

Authors:  Rohitash Yadav; Shazia Hasan; Sumit Mahato; Ismail Celik; Y S Mary; Ashish Kumar; Puneet Dhamija; Ambika Sharma; Neha Choudhary; Pankaj Kumar Chaudhary; Ankita Singh Kushwah; Jitendra Kumar Chaudhary
Journal:  J Mol Liq       Date:  2021-07-09       Impact factor: 6.165
  4 in total

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