Forschungsbereich Theoretische Chemie

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Organization Name (de) Name der Organisation (de)
E165-03 - Forschungsbereich Theoretische Chemie
 
Code Kennzahl
E165-03
 
Type of Organization Organisationstyp
Research Division
Parent OrgUnit Übergeordnete Organisation
 
Active Aktiv
 

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Results 1-2 of 2 (Search time: 0.001 seconds).

NameCountryRorId
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k

OrgUnit's Publications


Results 1-13 of 13 (Search time: 0.002 seconds).

PreviewAuthors / EditorsTitleTypeIssue Date
1Blaha, Peter Density-functional theory approaches to XAS in solidsBook Contribution Buchbeitrag2022
2Podewitz, M. Towards predictive computational catalysis – a case study of olefin metathesis with Mo imido alkylidene N-heterocyclic carbene catalystsBook Contribution Buchbeitrag2022
3Blaha, Peter WIEN2k, an augmented plane wave plus local orbital package for the electronic structure of solidsBook Contribution Buchbeitrag2020
4Schwarz, Karlheinz ; Blaha, Peter DFT calculations of solids in the ground stateBuchbeitrag Book Contribution 2018
5Schwarz, Karlheinz ; Blaha, Peter DFT Calculations for Real SolidsBuchbeitrag Book Contribution 2017
6Toher, Cormac ; Oses, Corey ; Hicks, David ; Gossett, Eric ; Rose, Frisco ; Nath, Pinku ; Usanmaz, Demet ; Ford, Denise ; Perim, Eric ; Calderon, Camilo ; Plata, Jose J. ; Lederer, Yoav ; Jahnátek, Michal ; Setyawan, Wahyu ; Wang, Shidong ; Xue, Junkai ; Rasch, Kevin ; Chepulskii, Roman ; Taylor, Richard H. ; Gomez, Geena ; Shi, Harvey ; Supka, Andrew R. ; Al Orabi, Rabih Al Rahal ; Gopal, Priya ; Cerasoli, Frank T. ; Liyanage, Laalitha ; Wang, Haihang ; Siloi, Ilaria ; Agapito, Luis A. ; Nyshadham, Chandramouli ; Hart, Gus L. W. ; Carrete, Jesus ; Legrain, Fleur ; Mingo, Natalio ; Zurek, Eva ; Isayev, Olexandr ; Tropsha, Alexander ; Sanvito, Stefano ; Hanson, Robert M. ; Takeuchi, Ishiro ; Mehl, Michael J. ; Kolmogorov, Aleksey ; Yang, Kesong Y. ; D´Amico, Pino ; Calzolari, Arrigo ; Costa, Marcio ; De Gennaro, Riccardo ; Nardelli, Marco Buongiorno ; Fornari, Marco ; Levy, Ohad ; Curtarolo, Stefano The AFLOW Fleet for Materials DiscoveryBuchbeitrag Book Contribution2016
7Schwarz, Karlheinz Computation of Materials Properties at the Atomic ScaleBuchbeitrag Book Contribution 2015
8Tran, F ; Wesolowski, T Semilocal Approximations for the Kinetic EnergBuchbeitrag Book Contribution2013
9Schwarz, Karlheinz ; Blaha, Peter Electronic Structure of Solids and Surfaces with WIEN2kBuchbeitrag Book Contribution 2012
10Blaha, Peter Mössbauer parameters from DFT-based WIEN2k calculations for extended systemsBuchbeitrag Book Contribution2011
11Först, Clemens J. ; Ashman, Christopher ; Schwarz, Karlheinz ; Blöchl, Peter Modelling of Growth of High-k Oxides on SemiconductorsBuchbeitrag Book Contribution2007
12Luitz, Joachim ; Hébert, Cécile ; Weinmeier, Kerstin ; Blaha, Peter ; Ambrosch-Draxl, Claudia ; Schattschneider, Peter DFTEM 2006, bringing together tow communities - International Conference on Density Functional Theory and Transmission Electron MicroscopyKonferenzband Proceedings2006
13Luitz, J. ; Hebert, Cecile ; Weinmeier, Kerstin ; Blaha, Peter ; Ambrosch-Draxl, Claudia ; Schattschneider, P. Proceedings of the International Conference on DFT + TEM 2006Konferenzband Proceedings2006