Next-Generation Nonlocal van der Waals Density Functional-Reference-Cited by-同舟云学术

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Next-Generation Nonlocal van der Waals Density Functional

Published:2020-07-28 Issue:9 Volume:16 Page:5893-5911
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chakraborty D.¹²^ORCID,Berland K.³,Thonhauser T.¹²

Affiliation:

1. Department of Physics, Wake Forest University, Winston-Salem, North Carolina 27109, United States

2. Center for Functional Materials, Wake Forest University, Winston-Salem, North Carolina 27109, United States

3. Faculty of Science and Technology, Norwegian University of Life Sciences, 1430 Ås, Norway

Funder

Norges Forskningsr?d

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00471

Reference114 articles.

1. Trapping gases in metal-organic frameworks with a selective surface molecular barrier layer

2. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

3. Capture of organic iodides from nuclear waste by metal-organic framework-based molecular traps

4. Structure-Driven Photoluminescence Enhancement in a Zn-Based Metal–Organic Framework

5. High stability of ultra-small and isolated gold nanoparticles in metal–organic framework materials

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1. Effect of van der Waals interaction on thermal expansion and thermal conductivity of graphite predicted from density-functional theory;International Journal of Heat and Mass Transfer;2024-11

2. Van der Waals density functional study of n -alkane adsorbed on metal surfaces;Physical Review B;2024-08-07

3. Superlattice Symmetries Reveal Electronic Topological Transition in CaC6 with Pressure;Crystals;2024-06-14

4. London Dispersion Effects on the Structure and Properties of Nonlinear Optical BiB₃O₆ Crystal;ChemPhysChem;2024-06-11

5. Deciphering Sodium‐Ion Storage: 2D‐Sulfide versus Oxide Through Experimental and Computational Analyses;Small;2024-06-05

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