APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session G44: Van Der Waals Interactions in Molecules, Materials, and Complex Environments II
Focus
|
Show Abstracts |
Sponsoring Units: DCOMP
Chair: Robert Distasio, Cornell University
Room: 704
|
|
|
|
G44.00001: The Role of Correlation Effects in Non-Valence Anions
Invited Speaker:
Kenneth Jordan
|
|
|
G44.00002: Attracting Opposites: Promiscuous Ion-π Binding in the DNA Nucleobases
Brian Ernst, Ka Un Lao, Andrew G. Sullivan, Robert Distasio
|
|
|
G44.00003: NENCI-2020: A Large Benchmark Non-Equilibrium Non-Covalent Interaction Database with Emphasis on the Repulsive Wall
Zachary Sparrow, Brian Ernst, Paul Joo, Ka Un Lao, Robert Distasio
|
|
|
G44.00004: Ab initio evaluation of complexation energies for cyclodextrin–drug inclusion complexes
Kenji Oqmhula, Kenta Hongo, Ryo Maezono, Tom Ichibha
|
|
|
G44.00005: Many-body dispersion effects and plasmonic correlations in the catalytic synchronization of a DNA-enzyme complex
Matteo Gori, Martin Stoehr, Alexandre Tkatchenko, Philip Kurian
|
|
|
G44.00006: Inversion Symmetry Breaking Probed by X-ray Absorption Spectroscopy in H-bonded Organic Ferroelectric Crystal
Fujie Tang, Xuanyuan Jiang, Hsin-Yu Ko, Jianhang Xu, Mehmet Topsakal, Guanhua Hao, Alpha T. N'Diaye, Peter A Dowben, Deyu Lu, Xiaoshan Xu, Xifan Wu
|
|
|
G44.00007: van der Waals Phonons in Molecular Crystals
Somayeh Khazaei, Alexandre Tkatchenko
|
|
|
G44.00008: First-principles studies of small molecule absorption kinetics in diamine-appended metal-organic frameworks
Alex Smith, Jeffrey B Neaton
|
|
|
G44.00009: Long-range Correlation Energy in the Interaction of Molecules with Surfaces
Alina Umerbekova, Michele Pavanello
|
|
|
G44.00010: Reproducibility of Molecular Adsorption Potential Energy Surfaces
Lukas Hörmann, Andreas Jeindl, Oliver T. Hofmann
|
