Fast and accurate computational modeling of adsorption on graphene: a dispersion interaction challenge

Evgeniy G. Gordeev; Mikhail V. Polynski; Valentine P. Ananikov

doi:10.1039/c3cp53189a

Fast and accurate computational modeling of adsorption on graphene: a dispersion interaction challenge

Physical Chemistry Chemical Physics ◽

10.1039/c3cp53189a ◽

2013 ◽

Vol 15 (43) ◽

pp. 18815 ◽

Cited By ~ 47

Author(s):

Evgeniy G. Gordeev ◽

Mikhail V. Polynski ◽

Valentine P. Ananikov

Keyword(s):

Computational Modeling ◽

Dispersion Interaction ◽

Modeling Of Adsorption

Download Full-text

Computational Modeling of Adsorption of Xe and Kr in M-MOF-74 Metal Organic Frame Works with Different Metal Atoms

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b02782 ◽

2016 ◽

Vol 120 (20) ◽

pp. 10968-10974 ◽

Cited By ~ 21

Author(s):

Tijo Vazhappilly ◽

Tapan K. Ghanty ◽

B. N. Jagatap

Keyword(s):

Computational Modeling ◽

Metal Atoms ◽

Metal Organic ◽

Modeling Of Adsorption

Download Full-text

Computational modeling of adsorption of microporous adsorbents. Communication 1. Water molecules on a carbon surface

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science ◽

10.1007/bf00948971 ◽

1984 ◽

Vol 33 (6) ◽

pp. 1116-1123

Author(s):

G. G. Malenkov ◽

M. M. Dubinin

Keyword(s):

Computational Modeling ◽

Carbon Surface ◽

Water Molecules ◽

Microporous Adsorbents ◽

Modeling Of Adsorption

Download Full-text

Computational Modeling of Cognition and Behavior

10.1017/cbo9781316272503 ◽

2018 ◽

Cited By ~ 32

Author(s):

Simon Farrell ◽

Stephan Lewandowsky

Keyword(s):

Computational Modeling ◽

And Behavior

Download Full-text

Computational modeling of multimodal I/O in simulated cockpits

PsycEXTRA Dataset ◽

10.1037/e446902006-001 ◽

2001 ◽

Author(s):

David E. Kieras ◽

Keyword(s):

Computational Modeling

Download Full-text

Computational modeling of high pressure combustion mechanism in scram accelerator

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:20001114 ◽

2000 ◽

Vol 10 (PR11) ◽

pp. Pr11-131-Pr11-141 ◽

Cited By ~ 1

Author(s):

J.-Y. Choi ◽

B.-J. Lee ◽

I.-S. Jeung

Keyword(s):

High Pressure ◽

Computational Modeling ◽

Combustion Mechanism

Download Full-text

Dispersion interaction between the hydrogen atom and hydrogen like ions

Journal de Physique ◽

10.1051/jphys:01980004102010100 ◽

1980 ◽

Vol 41 (2) ◽

pp. 101-107 ◽

Cited By ~ 1

Author(s):

F.N. Yousif ◽

G.C. Shukla

Keyword(s):

Hydrogen Atom ◽

Dispersion Interaction

Download Full-text

Improving Electricity Usage based on Computational Modeling in Cloud Computing

International Innovative Research Journal of Engineering and Technology ◽

10.32595/iirjet.org/v4i3.2019.83 ◽

2019 ◽

Vol 4 (3) ◽

pp. 19-25

Author(s):

Azham Hussain ◽

Zarul Fitri Zaaba

Keyword(s):

Cloud Computing ◽

Computational Modeling

Download Full-text

Tundish Open Eye Formation: Integrated Troubleshooting Using Computational Modeling, Physical Modeling and Plant Trials

AISTech2019 Proceedings of the Iron and Steel Technology Conference ◽

10.33313/377/149 ◽

2019 ◽

Author(s):

K. Chattopadhyay ◽

B. Konar ◽

J. Li ◽

D. Sengupta ◽

J. Leung

Keyword(s):

Computational Modeling ◽

Physical Modeling ◽

Plant Trials ◽

Eye Formation

Download Full-text

Developing a Computational Modeling Algorithm for Thermostressed Condition of Rod made of Heat-resistant Material ANB-300 type

International Conference on Machine Learning, Electrical and Mechanical Engineering (ICMLEME'2014) Jan. 8-9, 2014 Dubai (UAE) ◽

10.15242/iie.e0114030 ◽

2014 ◽

Keyword(s):

Computational Modeling ◽

Resistant Material ◽

Heat Resistant ◽

Heat Resistant Material ◽

Modeling Algorithm

Download Full-text

COMPUTATIONAL MODELING OF ELECTRONIC SPECTROSCOPY OF 3-PHENYL-2-PROPYNENITRILE

Proceedings of the 72nd International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2017.mg10 ◽

2017 ◽

Author(s):

Claudia Viquez Rojas ◽

Lyudmila Slipchenko ◽

Timothy Zwier ◽

Khadija Jawad

Keyword(s):

Computational Modeling ◽

Electronic Spectroscopy

Download Full-text