Why Ag(I) grafted porous carbon matrix prefers alkene over alkane? An inside view from ab-initio study

Separation of ethane-ethylene and propane-propylene by Ag(I) doped and sulfurized microporous carbon

(2020) Dipendu Saha et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Experimental and theoretical study of propene adsorption on alkali metal exchanged FER zeolites

(2019) Roman Bulánek et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Alternatives to Cryogenic Distillation: Advanced Porous Materials in Adsorptive Light Olefin/Paraffin Separations

(2019) Yuxiang Wang et al.   Small

Experimental and Theoretical Study of Propene Adsorption on K-FER Zeolites: New Evidence of Bridged Complex Formation

(2018) Miroslav Rubeš et al.   Journal of Physical Chemistry C

Transformation of Amorphous Carbon Clusters to Fullerenes

(2017) Alexander S. Sinitsa et al.   Journal of Physical Chemistry C

Adsorptive separation of CO 2 in sulfur-doped nanoporous carbons: Selectivity and breakthrough simulation

(2017) Dipendu Saha et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Noncompetitive and Competitive Adsorption of Heavy Metals in Sulfur-Functionalized Ordered Mesoporous Carbon

(2016) Dipendu Saha et al.   ACS Applied Materials & Interfaces

Novel C-PDA adsorbents with high uptake and preferential adsorption of ethane over ethylene

(2016) Xingjie Wang et al.   CHEMICAL ENGINEERING SCIENCE

Postextraction Separation, On-Board Storage, and Catalytic Conversion of Methane in Natural Gas: A Review

(2016) Dipendu Saha et al.   CHEMICAL REVIEWS

Seven chemical separations to change the world

(2016) David S. Sholl et al.   NATURE

Immobilization of Ag(i) into a metal–organic framework with –SO3H sites for highly selective olefin–paraffin separation at room temperature

(2015) Ganggang Chang et al.   CHEMICAL COMMUNICATIONS

Ethane Selective IRMOF-8 and Its Significance in Ethane–Ethylene Separation by Adsorption

(2014) João Pires et al.   ACS Applied Materials & Interfaces

Introduction of π-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane

(2014) Baiyan Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface

(2013) Ganes Shukri et al.   SURFACE SCIENCE

Adsorption and Activation of Ethene in Transition Metal Exchanged Zeolite Clinoptilolite: a Density Functional Study

(2013) Ellie L. Uzunova et al.   ACS Catalysis

Density Functional Theory Study on Propane and Propene Adsorption on Pt(111) and PtSn Alloy Surfaces

(2011) L. Nykänen et al.   Journal of Physical Chemistry C

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

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

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of ethane and ethylene on modified ETS-10

(2008) A. Anson et al.   CHEMICAL ENGINEERING SCIENCE