Search filters

List of works by Qi Yu

Crossover from hydrogen to chemical bonding

scientific article published on 01 January 2021

Decoding the 2D IR spectrum of the aqueous proton with high-level VSCF/VCI calculations

scientific article published on 01 September 2020

Development of nuclear basis sets for multicomponent quantum chemistry methods

scientific article published on 01 June 2020

High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton

scientific article published on 13 August 2019

Nuclear-Electronic Orbital Multistate Density Functional Theory

scientific article published on 16 November 2020

Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase <i>Trans</i> and <i>Gauche</i> Ethanol Conformers

scientific article published in 2022

Tracking Hydronium/Water Stretches in Magic H3O+(H2O)20 Clusters through High-level Quantum VSCF/VCI Calculations

scientific article published on 04 February 2020

Paulina is supported by:

About Paulina

Help