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Physical Chemistry Chemical Physics : PCCP|February 16, 2016
HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociationJuvenal Yosa Reyes, Sebastian Brickel, Oliver T Unke, et al.
Physical Chemistry Chemical Physics : PCCP|May 11, 2023
Low-temperature kinetics for the N + NO reaction: experiment guides the wayKevin M Hickson, Juan Carlos San Vicente Veliz, Debasish Koner, et al.
Structural Dynamics (Melville, N.Y.)|December 29, 2017
Kinetic isotope effects and how to describe themKonstantin Karandashev, Zhen-Hao Xu, Markus Meuwly, et al.
The Journal of Chemical Physics|August 10, 2013
2D IR spectra of cyanide in water investigated by molecular dynamics simulationsMyung Won Lee, Joshua K Carr, Michael Göllner, et al.
The Journal of Physical Chemistry. B|November 7, 2012
Hydrogen-bond and solvent dynamics in transition metal complexes: a combined simulation and NMR-investigationJing Huang, Daniel Häussinger, Urs Gellrich, et al.
The Journal of Chemical Physics|July 12, 2023
PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulationsKaisheng Song, Silvan Käser, Kai Töpfer, et al.
The Journal of Physical Chemistry. B|September 24, 2021
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine TrimerPadmabati Mondal, Pierre-André Cazade, Akshaya K Das, et al.
The Journal of Physical Chemistry. B|October 24, 2024
Force Fields for Deep Eutectic Mixtures: Application to Structure, Thermodynamics and 2D-Infrared SpectroscopyKai Töpfer, Eric Boittier, Mike Devereux, et al.
Physical Chemistry Chemical Physics : PCCP|August 23, 2016
Spectroscopy and dynamics of double proton transfer in formic acid dimerKasper Mackeprang, Zhen-Hao Xu, Zeina Maroun, et al.
Physical Chemistry Chemical Physics : PCCP|August 12, 2020
Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N2O and dynamics for the N + NO ↔ O + N2 and N2 + O → 2N + O reactionsDebasish Koner, Juan Carlos San Vicente Veliz, Raymond J Bemish, et al.
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