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Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a ?-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands

Authors:Apurba Nandi, Emory UniversityGabriel Laude, ETH ZürichSubodh S Khire, RIKEN Center for Computational ScienceNalini D Gurav, University of MünsterChen Qu, Independent Researcher, Toronto M9B0E3, CanadaRiccardo Conte, Università Degli Studi di MilanoQi Yu, Yale UniversityShuhang Li, Emory UniversityPaul L Houston, Cornell UniversityShridhar R Gadre, Savitribai Phule Pune UniversityJeremy O Richardson, ETH ZürichFrancesco Evangelista, Emory UniversityJoel Bowman, Emory University

Date:2023

Publisher:AMER CHEMICAL SOC

Publication Version:Final Published Version

License:Creative Commons Attribution 4.0 International
Observation of the Low-Frequency Spectrum of the Water Dimer as a Sensitive Test of the Water Dimer Potential and Dipole Moment Surfaces

Authors:Dr. Raffael Schwan, Ruhr-Universität BochumDr. Chen Qu, Emory UniversityDr. Devendra Mani, Ruhr-Universität BochumNitish Pal, Ruhr-Universität BochumDr. Lex van der Meer, Radboud University, NijmegenDr. Britta Redlich, Radboud University, NijmegenProf. Claude Leforestier, Université de MontpellierJoel Bowman, Emory UniversityGerhard Schwaab, Ruhr-Universität BochumProf. Martina Havenith, Ruhr-Universität Bochum

Date:2019

Publisher:WILEY-V C H VERLAG GMBH

Publication Version:Final Published Version

License:Creative Commons Attribution-NonCommercial 4.0 International

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Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a ?-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands

Observation of the Low-Frequency Spectrum of the Water Dimer as a Sensitive Test of the Water Dimer Potential and Dipole Moment Surfaces

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