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Ka Un Lao

4PUBLICATIONS

132CO-AUTHORS

Theoretical quantum chemistryStructural properties of condensed matterChemical thermodynamics and energetics

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Publications (4)

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|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

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Frequent Collaborators

3 joint publications

Robert A DiStasio

1 joint publications

Francisco Ballesteros

1 joint publications

Shelbie Dunivan

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

1 joint publications

Alec F White

1 joint publications

Marc P Coons

1 joint publications

Adrian L Dempwolff

1 joint publications

Diptarka Hait

1 joint publications

Daniel S Levine

Frequent Collaborators

3 joint publications

Robert A DiStasio

1 joint publications

Francisco Ballesteros

1 joint publications

Shelbie Dunivan

1 joint publications

Xintian Feng

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