Research Explorer

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Project

Influence of nuclear quantum effects on the static and dynamic properties of protic molecules in nanoporous materials

Outputs & Impact

Publications & research data ( 5 )

Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

Aran LamaireJelle WiemeSander VandenhauteRuben GoeminneSven RoggeVeronique Van Speybroeck

A1 Journal Article in NATURE COMMUNICATIONS

Nuclear quantum effects in proton transfer reactions

Aran LamaireMassimo BocusRuben GoeminneSander VandenhauteMaarten Cools-CeuppensToon VerstraelenVeronique Van Speybroeck

Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework

Kirill TitovMatthew R. RyderAran LamaireZhixin ZengAbhijeet K. ChaudhariJames TaylorE. M. MahdiSven RoggeSanghamitra MukhopadhyaySvemir Rudic et al.

A1 Journal Article in PHYSICAL REVIEW MATERIALS

Quantum free energy profiles for molecular proton transfers

Aran LamaireMaarten Cools-CeuppensMassimo BocusToon VerstraelenVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

How reproducible are surface areas calculated from the BET equation?

Johannes W. M. OsterriethJames RampersadDavid MaddenNakul RampalLuka SkoricBethany ConnollyMark D. AllendorfVitalie StavilaJonathan L. SniderRob Ameloot et al.

A1 Journal Article in ADVANCED MATERIALS

Activities ( 0 )

Results

Impact narratives ( 0 )

Patents ( 0 )