Lao KU - Search Results

1

Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases.

Ernst BG, Lao KU, Sullivan AG, DiStasio RA Jr. Ernst BG, et al. Among authors: lao ku. J Phys Chem A. 2020 May 21;124(20):4128-4140. doi: 10.1021/acs.jpca.0c02766. Epub 2020 May 7. J Phys Chem A. 2020. PMID: 32227907

2

Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: the XSAPT family of methods.

Lao KU, Herbert JM. Lao KU, et al. J Phys Chem A. 2015 Jan 15;119(2):235-52. doi: 10.1021/jp5098603. Epub 2014 Dec 14. J Phys Chem A. 2015. PMID: 25408114 Free article.

3

Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain.

Xie S, Tu L, Han Y, Huang L, Kang K, Lao KU, Poddar P, Park C, Muller DA, DiStasio RA Jr, Park J. Xie S, et al. Among authors: lao ku. Science. 2018 Mar 9;359(6380):1131-1136. doi: 10.1126/science.aao5360. Science. 2018. PMID: 29590041

4

Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters.

Yu X, Jia J, Xu S, Lao KU, Sanford MJ, Ramakrishnan RK, Nazarenko SI, Hoye TR, Coates GW, DiStasio RA Jr. Yu X, et al. Among authors: lao ku. Nat Commun. 2018 Jul 23;9(1):2880. doi: 10.1038/s41467-018-05269-3. Nat Commun. 2018. PMID: 30038298 Free PMC article.

5

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.

Lao KU, Jia J, Maitra R, DiStasio RA Jr. Lao KU, et al. J Chem Phys. 2018 Nov 28;149(20):204303. doi: 10.1063/1.5051458. J Chem Phys. 2018. PMID: 30501247

6

Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials.

Yang Y, Lao KU, DiStasio RA. Yang Y, et al. Among authors: lao ku. Phys Rev Lett. 2019 Jan 18;122(2):026001. doi: 10.1103/PhysRevLett.122.026001. Phys Rev Lett. 2019. PMID: 30720298

7

Accurate molecular polarizabilities with coupled cluster theory and machine learning.

Wilkins DM, Grisafi A, Yang Y, Lao KU, DiStasio RA Jr, Ceriotti M. Wilkins DM, et al. Among authors: lao ku. Proc Natl Acad Sci U S A. 2019 Feb 26;116(9):3401-3406. doi: 10.1073/pnas.1816132116. Epub 2019 Feb 7. Proc Natl Acad Sci U S A. 2019. PMID: 30733292 Free PMC article.

8

Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion.

Carter-Fenk K, Lao KU, Liu KY, Herbert JM. Carter-Fenk K, et al. Among authors: lao ku. J Phys Chem Lett. 2019 Jun 6;10(11):2706-2714. doi: 10.1021/acs.jpclett.9b01156. Epub 2019 May 10. J Phys Chem Lett. 2019. PMID: 31063380

9

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases.

Yang Y, Lao KU, Wilkins DM, Grisafi A, Ceriotti M, DiStasio RA Jr. Yang Y, et al. Among authors: lao ku. Sci Data. 2019 Aug 19;6(1):152. doi: 10.1038/s41597-019-0157-8. Sci Data. 2019. PMID: 31427579 Free PMC article.

10

Competitive Adsorption as a Route to Area-Selective Deposition.

Suh T, Yang Y, Zhao P, Lao KU, Ko HY, Wong J, DiStasio RA Jr, Engstrom JR. Suh T, et al. Among authors: lao ku. ACS Appl Mater Interfaces. 2020 Feb 26;12(8):9989-9999. doi: 10.1021/acsami.9b22065. Epub 2020 Feb 11. ACS Appl Mater Interfaces. 2020. PMID: 32043857

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