Search

6 results in Authors: Asmus Ougaard Dohn

Theoretical and Computational Chemistry

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

Asmus Ougaard Dohn, Elvar Jónsson, Hannes Jonsson

Version 1 posted 05 August 2019

531

Downloads

Theoretical and Computational Chemistry

Simulating the Hydration Structure of Low- and High-Spin [Fe(bpy)3]2+: Long-Range Dispersion and Many-Body Effects

Habiburrahman Zulfikri, Mátyas Pápai, Asmus Ougaard Dohn

Version 1 posted 21 February 2022

153

Downloads

Theoretical and Computational Chemistry

Polarizable force field for acetonitrile based on the single-center multipole expansion

Hemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, Asmus Ougaard Dohn

Version 3 posted 28 October 2022

419

Downloads

Theoretical and Computational Chemistry

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function I: Formulation & Tests on Dimer

Elvar Jónsson, Asmus Ougaard Dohn, Hannes Jonsson

Version 2 posted 06 August 2019

598

Downloads

Physical Chemistry

Characterization of deformational isomerization potential and interconversion dynamics with ultrafast x-ray solution scattering

Natalia E. Powers-Riggs, Benedikt O. Birgisson, Sumana Raj, Elisa Biasin, Philipp Lenzen, Diana Bregenholt Zederkof, Morten Haubro, Dagrún K. V. Tveiten, Robert Hartsock, Tim B. van Driel, Kristjan Kunnus, Matthieu Chollet, Joseph Robinson, Silke Nelson, Ruaridh Forbes, Kristoffer Haldrup, Kasper Steen Pedersen, Gianluca Levi, Asmus Ougaard Dohn, Hannes Jónsson, Klaus Braagaard Møller, Adi Natan, Martin Meedom Nielsen, Kelly Gaffney

Version 1 posted 29 March 2024

171

Downloads

Physical Chemistry

Finite-size Effects on the Calculation of X-ray Scattering from Molecular Dynamics Simulations

Asmus Ougaard Dohn, Verena Isabell Markmann, Amke Nimmrich, Kristoffer Haldrup, Klaus Braagaard Møller, Martin Meedom Nielsen

Version 2 posted 22 June 2023

336

Downloads