Search

Categories

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Over 3 years

(1)

Last 3 years

(3)

Last 12 months

(2)

Last 6 months

(1)

Keywords

Tunneling splitting

Authors

4 results in Keywords: Tunneling splitting

Theoretical and Computational Chemistry

A simplistic computational procedure for the tunneling splittings caused by the proton transfer

Version 3 posted 06 August 2021

848

Downloads

Theoretical and Computational Chemistry

Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules

Apurba Nandi, Peter R. Nagy

Version 1 posted 12 December 2023

149

Downloads

Theoretical and Computational Chemistry

Smolyak scheme for solving Schrödinger equation: application to malonaldehyde in full dimensionality

David Lauvergnat, André Nauts

Version 1 posted 18 April 2023

169

Downloads

2

Citations

Theoretical and Computational Chemistry

Intermolecular Bending States and Tunneling Splittings of Water Trimer from Rigorous 9D Quantum Calculations: I. Methodology, Energy Levels, and Low-Frequency Spectrum

Peter M. Felker, Irén Simkó, Zlatko Bačić

Version 1 posted 30 July 2024

65

Downloads