Reaction and free-energy pathways of hydrogen activation on partially promoted metal edge of CoMoS and NiMoS: A DFT and thermodynamics study

by Chanchai Sattayanon, Supawadee Namuangruk, Nawee Kungwan, Manaschai Kunaseth
Published 2018

Reaction and free-energy pathways of hydrogen activation on partially promoted metal edge of CoMoS and NiMoS: A DFT and thermodynamics study

by Chanchai Sattayanon, Supawadee Namuangruk, Nawee Kungwan, Manaschai Kunaseth
Published 2018

Theoretical Study of Sulfur-containing Compounds Adsorption on Transition Metals (V, Ni, Co, Fe) Doped NbS2 Surface for Hydrodesulfurization Reaction

by Suparada Kamchompoo, Tanabat Mudchimo, Yutthana Wongnongwa, Manaschai Kunaseth, Siriporn Jungsuttiwong
Published 2020

A DFT study of arsine adsorption on palladium doped graphene: Effects of palladium cluster size

by Manaschai Kunaseth, Tanabat Mudchimo, Supawadee Namuangruk, Nawee Kungwan, Vinich Promarak, Siriporn Jungsuttiwong
Published 2018

Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metals

by Siriporn Jungsuttiwong, Yutthana Wongnongwa, Supawadee Namuangruk, Nawee Kungwan, Vinich Promarak, Manaschai Kunaseth
Published 2018

Metal cluster-deposited graphene as an adsorptive material for m-xylene

by Anchalee Junkaew, Chompoonut Rungnim, Manaschai Kunaseth, Raymundo Arróyave, Vinich Promarak, Nawee Kungwan, Supawadee Namuangruk
Published 2018

Capability of defective graphene-supported Pd<inf>13</inf>and Ag<inf>13</inf>particles for mercury adsorption

by Jittima Meeprasert, Anchalee Junkaew, Chompoonut Rungnim, Manaschai Kunaseth, Nawee Kungwan, Vinich Promarak, Supawadee Namuangruk
Published 2018

Metal cluster-deposited graphene as an adsorptive material for m-xylene

by Anchalee Junkaew, Chompoonut Rungnim, Manaschai Kunaseth, Raymundo Arróyave, Vinich Promarak, Nawee Kungwan, Supawadee Namuangruk
Published 2018

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

by Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
Published 2018

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

by Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
Published 2018

A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

by Manaschai Kunaseth, Preeyaporn Poldorn, Anchalee Junkeaw, Jittima Meeprasert, Chompoonut Rungnim, Supawadee Namuangruk, Nawee Kungwan, Chan Inntam, Siriporn Jungsuttiwong
Published 2018

A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

by Manaschai Kunaseth, Preeyaporn Poldorn, Anchalee Junkeaw, Jittima Meeprasert, Chompoonut Rungnim, Supawadee Namuangruk, Nawee Kungwan, Chan Inntam, Siriporn Jungsuttiwong
Published 2018

Cavity closure of 2-hydroxypropyl-β-cyclodextrin: Replica exchange molecular dynamics simulations

by Khanittha Kerdpol, Jintawee Kicuntod, Peter Wolschann, Seiji Mori, Chompoonut Rungnim, Manaschai Kunaseth, Hisashi Okumura, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2019