Search

Categories

Physical Chemistry

(4)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Last 3 years

(4)

Last 12 months

(3)

Last 6 months

(2)

Last 3 months

(1)

Keywords

Vibrational states

Authors

4 results in Keywords: Vibrational states

Physical Chemistry

H2O-HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations

Patricia Vindel-Zandbergen, Dariusz Kędziera, Michał Żołtowski, Jacek Kłos, Piotr Żuchowski, Peter Felker, François Lique, Zlatko Bačić

Version 1 posted 25 August 2023

166

Downloads

Physical Chemistry

HF trimer: A new full-dimensional potential energy surface and rigorous 12D quantum calculations of vibrational states

Jia Li, Patricia Vindel Zandbergen, Jun Li, Peter Felker, Zlatko Bacic

Version 1 posted 04 June 2024

121

Downloads

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

64

Downloads

Theoretical and Computational Chemistry

HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and intermolecular bases

Irén Simkó, Peter M. Felker, Zlatko Bačić

Version 1 posted 08 March 2024

105

Downloads