Showing results (11-20 of 128) with videos related to
Sort By:
Pageof 13
Physical Chemistry Chemical Physics : PCCP|January 25, 2021
Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sitesMohammad R Momeni, Zeyu Zhang, David Dell'Angelo, et al.The Journal of Chemical Physics|February 2, 2022
Modeling energy transfer and absorption spectra in layered metal-organic frameworks based on a Frenkel-Holstein HamiltonianDavid Dell'Angelo, Mohammad R Momeni, Shaina Pearson, et al.Physical Chemistry Chemical Physics : PCCP|October 17, 2022
Correction: Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sitesMohammad R Momeni, Zeyu Zhang, David Dell'Angelo, et al.The Journal of Chemical Physics|April 1, 2024
DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulationsNathan London, Dil K Limbu, Mohammad R Momeni, et al.Accounts of Chemical Research|September 12, 2025
Two-Dimensional Electrically Conductive Metal-Organic Frameworks: Insights and Guidelines from TheoryShogo Nakaza, Yuliang Shi, Zeyu Zhang, et al.ACS Applied Materials & Interfaces|May 20, 2021
Metal-to-Semiconductor Transition in Two-Dimensional Metal-Organic Frameworks: An Ab Initio Dynamics PerspectiveZeyu Zhang, David Dell'Angelo, Mohammad R Momeni, et al.The Journal of Chemical Physics|December 15, 2025
Diagonal Born-Oppenheimer corrections in condensed-phase ring polymer surface hoppingDil K Limbu, Sandip Bhusal, Diana M Castañeda-Bagatella, et al.Journal of Chemical Information and Modeling|October 9, 2023
Effects of Defects and Presence of Open-Metal Sites on the Structure and Dynamics of Water in Hydrophobic Zeolitic Imidazolate FrameworksYuliang Shi, Dil K Limbu, Zeyu Zhang, et al.The Journal of Physical Chemistry. A|April 29, 2025
DL_POLY Quantum 2.1: A Suite of Real-Time Path Integral Methods for the Simulation of Dynamical Properties and Vibrational SpectraNathan London, Dil K Limbu, Md Omar Faruque, et al.The Journal of Physical Chemistry Letters|September 3, 2019
Investigating New Reactivities Enabled by Polariton PhotochemistryArkajit Mandal, Pengfei HuoPageof 13