Eva Zurek
Eva Zurek
Professor Department of Chemistry
Email verificata su buffalo.edu - Home page
Titolo
Citata da
Citata da
Anno
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
MD Hanwell, DE Curtis, DC Lonie, T Vandermeersch, E Zurek, ...
Journal of cheminformatics 4 (1), 1-17, 2012
47832012
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction
DC Lonie, E Zurek
Computer Physics Communications 182 (2), 372-387, 2011
2622011
A little bit of lithium does a lot for hydrogen
E Zurek, R Hoffmann, NW Ashcroft, AR Oganov, AO Lyakhov
Proceedings of the National Academy of Sciences 106 (42), 17640-17643, 2009
2522009
Theoretical studies of the structure and function of MAO (methylaluminoxane)
E Zurek, T Ziegler
Progress in polymer science 29 (2), 107-148, 2004
2032004
Density functional calculations of the 13C NMR chemical shifts in (9, 0) single-walled carbon nanotubes
E Zurek, J Autschbach
Journal of the American Chemical Society 126 (40), 13079-13088, 2004
1752004
A molecular perspective on lithium–ammonia solutions
E Zurek, PP Edwards, R Hoffmann
Angewandte Chemie International Edition 48 (44), 8198-8232, 2009
1382009
Modeling the Dynamic Equilibrium between Oligomers of (AlOCH3)n in Methylaluminoxane (MAO). A Theoretical Study Based on a Combined Quantum …
E Zurek, TK Woo, TK Firman, T Ziegler
Inorganic chemistry 40 (2), 361-370, 2001
1122001
Graphene-like boron–carbon–nitrogen monolayers
S Beniwal, J Hooper, DP Miller, PS Costa, G Chen, SY Liu, PA Dowben, ...
ACS nano 11 (3), 2486-2493, 2017
1032017
Theoretical study of the interactions between cations and anions in group IV transition-metal catalysts for single-site homogeneous olefin polymerization
Z Xu, K Vanka, T Firman, A Michalak, E Zurek, C Zhu, T Ziegler
Organometallics 21 (12), 2444-2453, 2002
992002
Reference module in chemistry, molecular sciences and chemical engineering
T Bi, N Zarifi, T Terpstra, E Zurek
Elsevier, 2019
94*2019
Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on
E Zurek, W Grochala
Physical Chemistry Chemical Physics 17 (5), 2917-2934, 2015
922015
Pressure-Stabilized Sodium Polyhydrides: ()
P Baettig, E Zurek
Physical Review Letters 106 (23), 237002, 2011
912011
Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting?
A Shamp, T Terpstra, T Bi, Z Falls, P Avery, E Zurek
Journal of the American Chemical Society 138 (6), 1884-1892, 2016
882016
Toward the identification of dormant and active species in MAO (methylaluminoxane)-activated, dimethylzirconocene-catalyzed olefin polymerization
E Zurek, T Ziegler
Organometallics 21 (1), 83-92, 2002
872002
High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective
E Zurek, T Bi
The Journal of chemical physics 150 (5), 050901, 2019
812019
A combined quantum mechanical and statistical mechanical study of the equilibrium of trimethylaluminum (TMA) and oligomers of (AlOCH3) n found in methylaluminoxane (MAO) solution
E Zurek, T Ziegler
Inorganic chemistry 40 (14), 3279-3292, 2001
802001
Metallization of magnesium polyhydrides under pressure
DC Lonie, J Hooper, B Altintas, E Zurek
Physical Review B 87 (5), 054107, 2013
782013
Polyhydrides of the alkaline earth metals: a look at the extremes under pressure
J Hooper, B Altintas, A Shamp, E Zurek
The Journal of Physical Chemistry C 117 (6), 2982-2992, 2013
762013
Enantioselective Copper‐Catalyzed Carboetherification of Unactivated Alkenes
MT Bovino, TW Liwosz, NE Kendel, Y Miller, N Tyminska, E Zurek, ...
Angewandte Chemie 126 (25), 6501-6505, 2014
742014
Density functional study of the 13C NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes
E Zurek, CJ Pickard, B Walczak, J Autschbach
The Journal of Physical Chemistry A 110 (43), 11995-12004, 2006
722006
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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