Publications by authors named "Ralph Welsch"

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Retraction: "Probing photodissociation dynamics using ring polymer molecular dynamics" [J. Chem. Phys. 150, 114105 (2019)].
Rajwant Kaur, Ralph Welsch

J Chem Phys· December 2021

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Time-resolving the UV-initiated photodissociation dynamics of OCS.
Evangelos T Karamatskos, Suresh Yarlagadda, Serguei Patchkovskii, Marc J J Vrakking, Ralph Welsch

Faraday Discuss· May 2021

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Ultrafast time-resolved x-ray absorption spectroscopy of ionized urea and its dimer through nonadiabatic dynamics.
Yashoj Shakya, Ludger Inhester, Caroline Arnold, Ralph Welsch, Robin Santra

Struct Dyn· May 2021

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Calculations of quantum tunnelling rates for muonium reactions with methane, ethane and propane.
Gabriel Laude, Danilo Calderini, Ralph Welsch, Jeremy O Richardson

Phys Chem Chem Phys· August 2020

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Nuclear quantum effects in state-selective scattering from ring polymer molecular dynamics.
Adrien Marjollet, Ralph Welsch

J Chem Phys· May 2020

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Kinetic isotope effects in the water forming reaction H/D + OH from rigorous close-coupling quantum dynamics simulations.
Ralph Welsch

Phys Chem Chem Phys· August 2019

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Hole dynamics in a photovoltaic donor-acceptor couple revealed by simulated time-resolved X-ray absorption spectroscopy.
Khadijeh Khalili, Ludger Inhester, Caroline Arnold, Ralph Welsch, Jens Wenzel Andreasen

Struct Dyn· July 2019

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Probing photodissociation dynamics using ring polymer molecular dynamics.
Rajwant Kaur, Ralph Welsch

J Chem Phys· March 2019

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Simulated XUV photoelectron spectra of THz-pumped liquid water.
Caroline Arnold, Ludger Inhester, Sergio Carbajo, Ralph Welsch, Robin Santra

J Chem Phys· January 2019

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Low-Temperature Thermal Rate Constants for the Water Formation Reaction H +OH from Rigorous Quantum Dynamics Calculations.
Ralph Welsch

Angew Chem Int Ed Engl· October 2018

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Prospects of Using High-Intensity THz Pulses To Induce Ultrafast Temperature-Jumps in Liquid Water.
Pankaj Kr Mishra, Valérie Bettaque, Oriol Vendrell, Robin Santra, Ralph Welsch

J Phys Chem A· June 2018

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Molecular polarizability anisotropy of liquid water revealed by terahertz-induced transient orientation.
Peter Zalden, Liwei Song, Xiaojun Wu, Haoyu Huang, Frederike Ahr, Ralph Welsch

Nat Commun· May 2018

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Rigorous close-coupling quantum dynamics calculation of thermal rate constants for the water formation reaction of H + OH on a high-level PES.
Ralph Welsch

J Chem Phys· May 2018

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Control of Nuclear Dynamics through Conical Intersections and Electronic Coherences.
Caroline Arnold, Oriol Vendrell, Ralph Welsch, Robin Santra

Phys Rev Lett· March 2018

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Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation.
Sophia Bazzi, Ralph Welsch, Oriol Vendrell, Robin Santra

J Phys Chem A· February 2018

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2D THz-THz-Raman Photon-Echo Spectroscopy of Molecular Vibrations in Liquid Bromoform.
Ian A Finneran, Ralph Welsch, Marco A Allodi, Thomas F Miller, Geoffrey A Blake

J Phys Chem Lett· September 2017

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Fundamentals: general discussion.
Stuart C Althorpe, Vijay Beniwal, Peter G Bolhuis, João Brandão, David C Clary, Ralph Welsch

Faraday Discuss· December 2016

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Non-equilibrium dynamics from RPMD and CMD.
Ralph Welsch, Kai Song, Qiang Shi, Stuart C Althorpe, Thomas F Miller

J Chem Phys· November 2016

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Molecular Seesaw: How Increased Hydrogen Bonding Can Hinder Excited-State Proton Transfer.
Ralph Welsch, Eric Driscoll, Jahan M Dawlaty, Thomas F Miller

J Phys Chem Lett· September 2016

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Coherent two-dimensional terahertz-terahertz-Raman spectroscopy.
Ian A Finneran, Ralph Welsch, Marco A Allodi, Thomas F Miller, Geoffrey A Blake

Proc Natl Acad Sci U S A· June 2016

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Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH4 → H2 + CH3 reaction on a neural network PES.
Ralph Welsch, Uwe Manthe

J Chem Phys· February 2015

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Loss of Memory in H + CH4 → H2 + CH3 State-to-State Reactive Scattering.
Ralph Welsch, Uwe Manthe

J Phys Chem Lett· February 2015

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The role of the transition state in polyatomic reactions: initial state-selected reaction probabilities of the H + CH₄ → H₂ + CH₃ reaction.
Ralph Welsch, Uwe Manthe

J Chem Phys· November 2014

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Communication: Ro-vibrational control of chemical reactivity in H+CH₄→ H₂+CH₃: full-dimensional quantum dynamics calculations and a sudden model.
Ralph Welsch, Uwe Manthe

J Chem Phys· August 2014

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Correlation functions for fully or partially state-resolved reactive scattering calculations.
Uwe Manthe, Ralph Welsch

J Chem Phys· June 2014

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