English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
Add to Basket
 Local TagsRelease HistoryDetailsSummary
  Many-Body Dispersion Interactions in Molecular Crystal Polymorphism

Marom, N., DiStasio, R. A., Atalla, V., Levchenko, S. V., Reilly, A., Chelikowsky, J. R., et al. (2013). Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie, 125(26), 6761-6764. doi:10.1002/ange.201301938.

Item is

 

show all hide all

Basic

show hide
Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-A099-2 Version Permalink: https://hdl.handle.net/21.11116/0000-000D-8A6C-F
Genre: Journal Article

Files

show Files
hide Files
:
polymorphs3.pdf (Any fulltext), 2MB
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-A263-A
Name:
polymorphs3.pdf
Description:
-
OA-Status:
Green
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
View
Copyright Date:
2013
Copyright Info:
Wiley
License:
-

Locators

show

Creators

show
hide
 Creators:
Marom, Noa1, Author
DiStasio, Robert A. 2, Author
Atalla, Viktor3, Author           
Levchenko, Sergey V.3, Author           
Reilly, Anthony3, Author           
Chelikowsky, James R.1, Author
Leiserowitz, Leslie4, Author
Tkatchenko, Alexandre3, Author           
Affiliations:
1Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, TX 78712 (USA), ou_persistent22              
2Department of Chemistry, Princeton University, Princeton, NJ 08544 (USA), ou_persistent22              
3Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
4Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100 (Israel), ou_persistent22              

Content

show
hide
Free keywords: Ab-initio-Rechnungen; Dispersionswechselwirkungen; Intermolekulare Wechselwirkungen; Molekulare Kristalle; Polymorphie
 Abstract: Molekulare Kristalle: Die Strukturen und relativen Energien von Glycin-Polymorphen wurden mittels dispersionskorrigierter PBE- und PBEh-Dichtefunktionale bestimmt. Das Bild zeigt eine Energiehyperfläche für die a-b-Fläche von γ-Glycin, die mit Dichtefunktionaltheorie unter Berücksichtigung von Vielkörper-Dispersionswechselwirkungen erhalten wurde.

Details

show
hide
Language(s): eng - English
 Dates: 2013-03-072013-052013-05-162013-06-24
 Publication Status: Issued
 Pages: 4
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/ange.201301938
 Degree: -

Event

show

Legal Case

show

Project information

show hide
Project name : VDW-CMAT - Van der Waals Interactions in Complex Materials
Grant ID : 278205
Funding program : Funding Programme 7 (FP7)
Funding organization : European Commission (EC)

Source 1

show
hide
Title: Angewandte Chemie
  Abbreviation : Angew. Chem.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Weinheim : Wiley-VCH
Pages: 4 Volume / Issue: 125 (26) Sequence Number: - Start / End Page: 6761 - 6764 Identifier: ISSN: 0044-8249
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058_1