Ka Un Lao

4PUBLICATIONS
132CO-AUTHORS
Theoretical quantum chemistryStructural properties of condensed matterChemical thermodynamics and energetics
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (4)

|Nov 14, 2021
NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts.

Zachary M Sparrow, Brian G Ernst, Paul T Joo

|Sep 02, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Apr 23, 2021
Coupled cluster benchmarks of large noncovalent complexes: The L7 dataset as well as DNA-ellipticine and buckycatcher-fullerene.

Francisco Ballesteros, Shelbie Dunivan, Ka Un Lao

|Dec 04, 2018
On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions.

Ka Un Lao, Junteng Jia, Rahul Maitra

Pageof 1

Frequent Collaborators

3 joint publications

Robert A DiStasio

1 joint publications

Francisco Ballesteros

1 joint publications

Shelbie Dunivan

1 joint publications

Xintian Feng