Ka Un Lao
Title
Cited by
Cited by
Year
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
22712015
Facet-dependent catalytic activity of gold nanocubes, octahedra, and rhombic dodecahedra toward 4-nitroaniline reduction
CY Chiu, PJ Chung, KU Lao, CW Liao, MH Huang
The Journal of Physical Chemistry C 116 (44), 23757-23763, 2012
1912012
Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain
S Xie, L Tu, Y Han, L Huang, K Kang, KU Lao, P Poddar, C Park, ...
Science 359 (6380), 1131-1136, 2018
1822018
A comparative study of gold nanocubes, octahedra, and rhombic dodecahedra as highly sensitive SERS substrates
HL Wu, HR Tsai, YT Hung, KU Lao, CW Liao, PJ Chung, JS Huang, ...
Inorganic chemistry 50 (17), 8106-8111, 2011
1202011
Accurate molecular polarizabilities with coupled cluster theory and machine learning
DM Wilkins, A Grisafi, Y Yang, KU Lao, RA DiStasio, M Ceriotti
Proceedings of the National Academy of Sciences 116 (9), 3401-3406, 2019
882019
Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: The XSAPT family of methods
KU Lao, JM Herbert
The Journal of Physical Chemistry A 119 (2), 235-252, 2015
772015
Aiming for benchmark accuracy with the many-body expansion
RM Richard, KU Lao, JM Herbert
Accounts of chemical research 47 (9), 2828-2836, 2014
772014
Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory
KU Lao, R Schäffer, G Jansen, JM Herbert
Journal of chemical theory and computation 11 (6), 2473-2486, 2015
762015
Energy decomposition analysis with a stable charge-transfer term for interpreting intermolecular interactions
KU Lao, JM Herbert
Journal of chemical theory and computation 12 (6), 2569-2582, 2016
702016
An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method
KU Lao, JM Herbert
The Journal of chemical physics 139 (3), 034107, 2013
692013
Understanding the many-body expansion for large systems. I. Precision considerations
RM Richard, KU Lao, JM Herbert
The Journal of chemical physics 141 (1), 014108, 2014
632014
Rapid computation of intermolecular interactions in molecular and ionic clusters: Self-consistent polarization plus symmetry-adapted perturbation theory
JM Herbert, LD Jacobson, KU Lao, MA Rohrdanz
Physical Chemistry Chemical Physics 14 (21), 7679-7699, 2012
612012
Accurate intermolecular interactions at dramatically reduced cost: XPol+ SAPT with empirical dispersion
KU Lao, JM Herbert
The Journal of Physical Chemistry Letters 3 (22), 3241-3248, 2012
582012
Understanding the many-body expansion for large systems. II. Accuracy considerations
KU Lao, KY Liu, RM Richard, JM Herbert
The Journal of chemical physics 144 (16), 164105, 2016
532016
Breakdown of the single-exchange approximation in third-order symmetry-adapted perturbation theory
KU Lao, JM Herbert
The Journal of Physical Chemistry A 116 (11), 3042-3047, 2012
402012
Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion
K Carter-Fenk, KU Lao, KY Liu, JM Herbert
The journal of physical chemistry letters 10 (11), 2706-2714, 2019
392019
Achieving the CCSD (T) basis-set limit in sizable molecular clusters: Counterpoise corrections for the many-body expansion
RM Richard, KU Lao, JM Herbert
The journal of physical chemistry letters 4 (16), 2674-2680, 2013
392013
A computational study of unique properties of pillar[n]quinones: Self‐assembly to tubular structures and potential applications as electron acceptors and anion …
K Lao, C Yu
Journal of computational chemistry 32 (12), 2716-2726, 2011
372011
Efficient monomer-based quantum chemistry methods for molecular and ionic clusters
LD Jacobson, RM Richard, KU Lao, JM Herbert
Annual Reports in Computational Chemistry 9, 25-58, 2013
342013
Atomic orbital implementation of extended symmetry-adapted perturbation theory (XSAPT) and benchmark calculations for large supramolecular complexes
KU Lao, JM Herbert
Journal of chemical theory and computation 14 (6), 2955-2978, 2018
332018
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Articles 1–20