Работы, на которые ссылается эта работа

Работ: 78

Работа: Enhancing CO2 adsorption capacity of C60 fullerene through boron doping and lithium decoration: A DFT study

Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
Статья1996Цитирований: 153
ABI
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme, Jens Antony, Stephan Ehrlich +1
Статья2010Цитирований: 57
ABI
Carbon Dioxide Emissions, Capture, Storage and Utilization: Review of Materials, Processes and Technologies
Turgut M. Gür
Статья2021Цитирований: 11
ABI
From molecules to solids with the DMol3 approach
B. Delley
Статья2000Цитирований: 7
ABI
The electrostatic potential: an overview
Jane S. Murray, Peter Politzer
Статья2011Цитирований: 5
ABI
The QTAIM Perspective of Chemical Bonding
Paul Lode Albert Popelier
Другое2014Цитирований: 5
ABI
Inhibition of inflammation by berberine: Molecular mechanism and network pharmacology analysis
Kaijun Wang, Jie Yin, Jiayi Chen +3
Статья2024Цитирований: 3
ABI
Density Functional Theory Study of the Interaction of Hydrogen with Li6C60
Qian Wang, Puru Jena
Статья2012Цитирований: 3
ABI
Decoration of doped C 60 fullerene with alkali metals: Prototype nanomaterial with enhanced binding energy toward hydrogen
Akbar Omidvar, Afshan Mohajeri
Статья2017Цитирований: 3
ABI
Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride
Zhuxing Sun, Julia Fischer, Qian Li +7
Статья2017Цитирований: 2
ABI
MWCNT Decorated Rich N-Doped Porous Carbon with Tunable Porosity for CO2 Capture
Yuanjie Xiong, Yuan Wang, Housheng Jiang +1
Статья2021Цитирований: 2
ABI
Update of the AIM2000‐Program for atoms in molecules
Friedrich Biegler‐König, Jens Schönbohm
Статья2002Цитирований: 2
ABI
Anomalous Role of Carbon in Pd‐Catalyzed Selective Hydrogenation
Peng Zhai, Divakar R. Aireddy, Mark B. Berko +6
Статья2024Цитирований: 2
ABI
Shaping of MIL-53-Al and MIL-101 MOF for CO2/CH4, CO2/N2 and CH4/N2 separation
Narendra Singh, Suman Dalakoti, Anjali Sharma +5
Статья2024Цитирований: 2
ABI
Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies
Felipe A. Bulat, Alejandro Toro‐Labbé, Tore Brinck +2
Статья2010Цитирований: 2
ABI
A first-principles study on the adsorption behaviour of methanol and ethanol over C59B heterofullerene
Mehdi D. Esrafili, Nafiseh Mohammadirad
Статья2017Цитирований: 2
ABI
Carbon dioxide capture with zeotype materials
Donglong Fu, Mark E. Davis
Обзорная статья2022Цитирований: 2
ABI
Light metal decorated graphene-like Si2BN monolayers as hydrogen storage media: A DFT investigation
Minming Jiang, Jiang Xu, Paul Munroe +2
Статья2023Цитирований: 2
ABI
Molecular electrostatic potentials and noncovalent interactions
Jane S. Murray, Peter Politzer
Статья2017Цитирований: 2
ABI
Ca-decorated novel boron sheet: A potential hydrogen storage medium
Jianchuan Wang, Yong Du, Lixian Sun
Статья2016Цитирований: 2
ABI
Ca coated B40 fullerene: A promising material for CO2 storage and separation
Mehdi D. Esrafili, Parisasadat Mousavian
Статья2021Цитирований: 2
ABI
A computational study of CH4 storage on Sc functionalized C48B12 heterofullerene
Parisasadat Mousavian, Mehdi D. Esrafili, Jaber Jahanbin Sardroodi
Статья2022Цитирований: 2
ABI
Ambient pressure storage of high-density methane in nanoporous carbon coated with graphene
Shuwen Wang, Fernando Vallejos-Burgos, Ayumi Furuse +13
Статья2025Цитирований: 2
ABI
Exploring yttrium doped C24 fullerene as a high-capacity reversible hydrogen storage material: DFT investigations
Vikram Mahamiya, Alok Shukla, Brahmananda Chakraborty
Статья2021Цитирований: 2
ABI
Ab initiostudy of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage
Hoonkyung Lee, Woon Ih Choi, Manh Cuong Nguyen +3
Статья2007Цитирований: 2
ABI

Работы, на которые ссылается эта работа

Generalized Gradient Approximation Made Simple

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Carbon Dioxide Emissions, Capture, Storage and Utilization: Review of Materials, Processes and Technologies

From molecules to solids with the DMol3 approach

The electrostatic potential: an overview

The QTAIM Perspective of Chemical Bonding

Inhibition of inflammation by berberine: Molecular mechanism and network pharmacology analysis

Density Functional Theory Study of the Interaction of Hydrogen with Li<sub>6</sub>C<sub>60</sub>

Decoration of doped C 60 fullerene with alkali metals: Prototype nanomaterial with enhanced binding energy toward hydrogen

Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride

MWCNT Decorated Rich N-Doped Porous Carbon with Tunable Porosity for CO2 Capture

Update of the AIM2000‐Program for atoms in molecules

Anomalous Role of Carbon in Pd‐Catalyzed Selective Hydrogenation

Shaping of MIL-53-Al and MIL-101 MOF for CO2/CH4, CO2/N2 and CH4/N2 separation

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

A first-principles study on the adsorption behaviour of methanol and ethanol over C<sub>59</sub>B heterofullerene

Carbon dioxide capture with zeotype materials

Light metal decorated graphene-like Si2BN monolayers as hydrogen storage media: A DFT investigation

Molecular electrostatic potentials and noncovalent interactions

Ca-decorated novel boron sheet: A potential hydrogen storage medium

Ca coated B40 fullerene: A promising material for CO2 storage and separation

A computational study of CH4 storage on Sc functionalized C48B12 heterofullerene

Ambient pressure storage of high-density methane in nanoporous carbon coated with graphene

Exploring yttrium doped C24 fullerene as a high-capacity reversible hydrogen storage material: DFT investigations

<i>Ab initio</i>study of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage