Eva Zurek - Publications

Affiliations: 
Chemistry State University of New York, Buffalo, Buffalo, NY, United States 
Area:
General Chemistry, Computer Science, Physical Chemistry
Website:
http://chemistry.buffalo.edu/people/zurek/

140 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Bi T, Zurek E. Electronic Structure and Superconductivity of Compressed Metal Tetrahydrides. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34469606 DOI: 10.1002/chem.202102679  1
2021 Yu X, Zhou T, Zhao Y, Lu F, Zhang X, Liu G, Gou H, Zurek E, Luo X. Surface Magnetism in Pristine α Rhombohedral Boron and Intersurface Exchange Coupling Mechanism of Boron Icosahedra. The Journal of Physical Chemistry Letters. 6812-6817. PMID 34270247 DOI: 10.1021/acs.jpclett.1c01860  1
2021 Bi T, Shamp A, Terpstra T, Hemley RJ, Zurek E. The Li-F-H ternary system at high pressures. The Journal of Chemical Physics. 154: 124709. PMID 33810644 DOI: 10.1063/5.0041490  1
2021 Snider E, Dasenbrock-Gammon N, McBride R, Wang X, Meyers N, Lawler KV, Zurek E, Salamat A, Dias RP. Synthesis of Yttrium Superhydride Superconductor with a Transition Temperature up to 262 K by Catalytic Hydrogenation at High Pressures. Physical Review Letters. 126: 117003. PMID 33798352 DOI: 10.1103/PhysRevLett.126.117003  0.01
2021 Riedel R, Seel AG, Malko D, Miller DP, Sperling BT, Choi H, Headen TF, Zurek E, Porch A, Kucernak A, Pyper NC, Edwards PP, Barrett AGM. Superalkali-Alkalide Interactions and Ion Pairing in Low-Polarity Solvents. Journal of the American Chemical Society. PMID 33660507 DOI: 10.1021/jacs.1c00115  1
2021 Kurzydłowski D, Derzsi M, Grochala W, Zurek E. Fluorides of silver under large compression. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33471421 DOI: 10.1002/chem.202100028  1
2020 Zhong Y, Tang Q, Miller DP, Zurek E, Liu R, Lu ZL, Gong B. Major Factors for the Persistent Folding of Hybrid α, β, γ-Hybrid Peptides Into Hairpins. Frontiers in Chemistry. 8: 530083. PMID 33134269 DOI: 10.3389/fchem.2020.530083  1
2020 Yan Y, Bi T, Geng N, Wang X, Zurek E. A Metastable CaSH Phase Composed of HS Honeycomb Sheets that is Superconducting Under Pressure. The Journal of Physical Chemistry Letters. 9629-9636. PMID 33125247 DOI: 10.1021/acs.jpclett.0c02299  1
2020 Sperling JM, Warzecha EJ, Celis-Barros C, Sergentu DC, Wang X, Klamm BE, Windorff CJ, Gaiser AN, White FD, Beery DA, Chemey AT, Whitefoot MA, Long BN, Hanson K, Kögerler P, ... ... Zurek E, et al. Compression of curium pyrrolidine-dithiocarbamate enhances covalency. Nature. 583: 396-399. PMID 32669698 DOI: 10.1038/S41586-020-2479-2  1
2020 Du Y, Li W, Zurek E, Gao L, Cui X, Zhang M, Liu H, Tian Y, Zhang S, Zhang D. Predicted CsSi compound: a promising material for photovoltaic applications. Physical Chemistry Chemical Physics : Pccp. PMID 32400781 DOI: 10.1039/D0Cp01440K  0.04
2020 Tang Q, Zhong Y, Miller DP, Liu R, Zurek E, Lu ZL, Gong B. Reverse Turn Foldamers: An Expanded β-Turn Motif Reinforced by Double Hydrogen Bonds. Organic Letters. PMID 31944777 DOI: 10.1021/Acs.Orglett.9B04547  1
2020 Wang Q, Zhong Y, Miller DP, Lu X, Tang Q, Lu ZL, Zurek E, Liu R, Gong B. Self-Assembly and Molecular Recognition in Water: Tubular Stacking and Guest-Templated Discrete Assembly of Water-Soluble, Shape-Persistent Macrocycles. Journal of the American Chemical Society. PMID 31895977 DOI: 10.1021/Jacs.9B11536  1
2019 Zhao L, Liu W, Yi W, Hu T, Khodagholian D, Gu F, Lin H, Zurek E, Zheng Y, Miao M. Nano-makisu: highly anisotropic two-dimensional carbon allotropes made by weaving together nanotubes. Nanoscale. PMID 31825450 DOI: 10.1039/C9Nr08069D  1
2019 Zhang Y, Zhong Y, Connor AL, Miller DP, Cao R, Shen J, Song B, Baker ES, Tang Q, Pulavarti SVSRK, Liu R, Wang Q, Lu ZL, Szyperski T, Zeng H, ... ... Zurek E, et al. Folding and Assembly of Short α, β, γ-Hybrid Peptides: Minor Variations in Sequence and Drastic Differences in Higher-Level Structures. Journal of the American Chemical Society. PMID 31381306 DOI: 10.1021/Jacs.9B06094  1
2019 Zurek E, Bi T. High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective. The Journal of Chemical Physics. 150: 050901. PMID 30736697 DOI: 10.1063/1.5079225  1
2019 Zurek E. Pushing Towards Room-Temperature Superconductivity Physics. 12: 1. DOI: 10.1103/Physics.12.1  0.01
2018 Bennett JA, Miller DP, Simpson S, Rodriguez M, Zurek E. Electrochemical Atomic Force Microscopy and First Principles Calculations of Ferriprotoporphyrin Adsorption and Polymerization. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30157638 DOI: 10.1021/Acs.Langmuir.8B02059  1
2018 Liu Z, Botana J, Hermann A, Valdez S, Zurek E, Yan D, Lin HQ, Miao MS. Reactivity of He with ionic compounds under high pressure. Nature Communications. 9: 951. PMID 29507302 DOI: 10.1038/S41467-018-03284-Y  1
2017 Zhang X, Costa PS, Hooper J, Miller DP, N'Diaye AT, Beniwal S, Jiang X, Yin Y, Rosa P, Routaboul L, Gonidec M, Poggini L, Braunstein P, Doudin B, Xu X, ... ... Zurek E, et al. Locking and Unlocking the Molecular Spin Crossover Transition. Advanced Materials (Deerfield Beach, Fla.). PMID 28846811 DOI: 10.1002/Adma.201702257  1
2017 Teeter JD, Costa PS, Mehdi Pour M, Miller DP, Zurek E, Enders A, Sinitskii A. Epitaxial growth of aligned atomically precise chevron graphene nanoribbons on Cu(111). Chemical Communications (Cambridge, England). PMID 28702538 DOI: 10.1039/C6Cc08006E  1
2017 Zhang R, Cai W, Bi T, Zarifi N, Terpstra T, Zhang C, Vardeny ZV, Zurek E, Deemyad S. Effects of Non-Hydrostatic Stress on Structural and Optoelectronic Properties of Methylammonium Lead Bromide Perovskite. The Journal of Physical Chemistry Letters. PMID 28691486 DOI: 10.1021/Acs.Jpclett.7B01367  1
2017 Bi T, Miller DP, Shamp A, Zurek E. Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen. Angewandte Chemie (International Ed. in English). PMID 28474853 DOI: 10.1002/Anie.201701660  1
2017 Hu T, Connor AL, Miller DP, Wang X, Pei Q, Liu R, He L, Zheng C, Zurek E, Lu ZL, Gong B. Helical Folding of Meta-Connected Aromatic Oligoureas. Organic Letters. PMID 28474528 DOI: 10.1021/Acs.Orglett.7B01005  1
2017 Beniwal S, Hooper J, Miller DP, Costa PS, Chen G, Liu SY, Dowben PA, Sykes EC, Zurek E, Enders A. Graphene-Like Boron-Carbon-Nitrogen Monolayers. Acs Nano. PMID 28165713 DOI: 10.1021/Acsnano.6B08136  1
2016 Falls Z, Zurek E, Autschbach J. Computational prediction and analysis of the (27)Al solid-state NMR spectrum of methylaluminoxane (MAO) at variable temperatures and field strengths. Physical Chemistry Chemical Physics : Pccp. PMID 27526292 DOI: 10.1039/C6Cp04260K  1
2016 Mounce AM, Yasuoka H, Koutroulakis G, Lee JA, Cho H, Gendron F, Zurek E, Scott BL, Trujillo JA, Slemmons AK, Cross JN, Thompson JD, Kozimor SA, Bauer ED, Autschbach J, et al. Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me)4N]2PuCl6. Inorganic Chemistry. PMID 27513717 DOI: 10.1021/Acs.Inorgchem.6B00735  1
2016 Zhang RF, Wen XD, Legut D, Fu ZH, Veprek S, Zurek E, Mao HK. Crystal Field Splitting is Limiting the Stability and Strength of Ultra-incompressible Orthorhombic Transition Metal Tetraborides. Scientific Reports. 6: 23088. PMID 26976479 DOI: 10.1038/Srep23088  1
2016 Shamp A, Terpstra T, Bi T, Falls Z, Avery P, Zurek E. Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting? Journal of the American Chemical Society. PMID 26777416 DOI: 10.1021/Jacs.5B10180  1
2016 Kunkel DA, Hooper J, Bradley B, Schlueter L, Rasmussen T, Costa P, Beniwal S, Ducharme S, Zurek E, Enders A. 2D Co-crystallization from H-bonded Organic Ferroelectrics. The Journal of Physical Chemistry Letters. PMID 26750982 DOI: 10.1021/Acs.Jpclett.5B02472  1
2016 Terpstra T, Hooper J, Zurek E. First principles investigation on how site preference and entropy affect the stability of (EuxM1- x)2Ge2Pb (M = Ca, Sr, Ba) polar intermetallics Canadian Journal of Chemistry. 94: 312-320. DOI: 10.1139/Cjc-2015-0374  1
2016 Zurek E. Hydrides of the Alkali Metals and Alkaline Earth Metals Under Pressure Comments On Inorganic Chemistry. 1-21. DOI: 10.1080/02603594.2016.1196679  1
2016 Costa PS, Miller DP, Teeter JD, Beniwal S, Zurek E, Sinitskii A, Hooper J, Enders A. Structure and Proton-Transfer Mechanism in One-Dimensional Chains of Benzimidazoles Journal of Physical Chemistry C. 120: 5804-5809. DOI: 10.1021/Acs.Jpcc.6B00572  1
2016 Simpson S, Hooper J, Miller DP, Kunkel DA, Enders A, Zurek E. Modulating Bond Lengths via Backdonation: A First-Principles Investigation of a Quinonoid Zwitterion Adsorbed to Coinage Metal Surfaces Journal of Physical Chemistry C. 120: 6633-6641. DOI: 10.1021/Acs.Jpcc.6B00360  1
2016 Murphy CJ, Miller DP, Simpson S, Baggett A, Pronschinske A, Liriano ML, Therrien AJ, Enders A, Liu SY, Zurek E, Sykes ECH. Charge-Transfer-Induced Magic Cluster Formation of Azaborine Heterocycles on Noble Metal Surfaces Journal of Physical Chemistry C. 120: 6020-6030. DOI: 10.1021/Acs.Jpcc.5B11970  1
2016 Luo X, Zurek E. Crystal Structures and Electronic Properties of Single-Layer, Few-Layer, and Multilayer GeH Journal of Physical Chemistry C. 120: 793-800. DOI: 10.1021/Acs.Jpcc.5B11770  1
2016 Miao MS, Botana J, Zurek E, Hu T, Liu J, Yang W. Electron Counting and a Large Family of Two-Dimensional Semiconductors Chemistry of Materials. 28: 1994-1999. DOI: 10.1021/Acs.Chemmater.5B03557  1
2015 Shamp A, Zurek E. Superconducting High-Pressure Phases Composed of Hydrogen and Iodine. The Journal of Physical Chemistry Letters. 6: 4067-72. PMID 26722778 DOI: 10.1021/Acs.Jpclett.5B01839  1
2015 Shamp A, Saitta P, Zurek E. Theoretical predictions of novel potassium chloride phases under pressure. Physical Chemistry Chemical Physics : Pccp. 17: 12265-72. PMID 25891957 DOI: 10.1039/C5Cp00470E  1
2015 Miller DP, Simpson S, Tymi?ska N, Zurek E. Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure. The Journal of Chemical Physics. 142: 101924. PMID 25770513 DOI: 10.1063/1.4908267  1
2015 Kunkel DA, Hooper J, Simpson S, Miller DP, Routaboul L, Braunstein P, Doudin B, Beniwal S, Dowben P, Skomski R, Zurek E, Enders A. Self-assembly of strongly dipolar molecules on metal surfaces. The Journal of Chemical Physics. 142: 101921. PMID 25770510 DOI: 10.1063/1.4907943  1
2015 Zurek E, Yao Y. Theoretical predictions of novel superconducting phases of BaGe3 stable at atmospheric and high pressures. Inorganic Chemistry. 54: 2875-84. PMID 25731906 DOI: 10.1021/Ic5030235  1
2015 Simpson S, Gross MS, Olson JR, Zurek E, Aga DS. Identification of polybrominated diphenyl ether metabolites based on calculated boiling points from COSMO-RS, experimental retention times, and mass spectral fragmentation patterns. Analytical Chemistry. 87: 2299-305. PMID 25565148 DOI: 10.1021/Ac504107B  1
2015 Zurek E, Grochala W. Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on. Physical Chemistry Chemical Physics : Pccp. 17: 2917-34. PMID 25427780 DOI: 10.1039/C4Cp04445B  1
2015 Hernandez O, Hernandez L, Vera D, Santander A, Zurek E. Thalamic reticular cells firing modes and its dependency on the frequency and amplitude ranges of the current stimulus. Medical & Biological Engineering & Computing. 53: 37-44. PMID 25326866 DOI: 10.1007/s11517-014-1209-z  1
2015 Zurek EE, Gamarra AMR, Escorcia GJR, Gutierrez C, Bayona H, Perez R, Garcia X. Spectral analysis techniques for acoustic fingerprints recognition 2014 19th Symposium On Image, Signal Processing and Artificial Vision, Stsiva 2014. DOI: 10.1109/STSIVA.2014.7010154  1
2015 Murphy CJ, Baggett AW, Miller DP, Simpson S, Marcinkowski MD, Mattera MFG, Pronschinske A, Therrien A, Liriano ML, Zurek E, Liu SY, Sykes ECH. Effect of BN/CC Isosterism on the Thermodynamics of Surface and Bulk Binding: 1,2-Dihydro-1,2-azaborine vs Benzene Journal of Physical Chemistry C. 119: 14624-14631. DOI: 10.1021/Jp5126427  1
2015 Tymińska N, Zurek E. DFT-D Investigation of Active and Dormant Methylaluminoxane (MAO) Species Grafted onto a Magnesium Dichloride Cluster: A Model Study of Supported MAO Acs Catalysis. 5: 6989-6998. DOI: 10.1021/Acscatal.5B01697  1
2015 Hooper J, Kunkel DA, Zurek E, Enders A. Interplay between Hydrogen Bonding, Epitaxy, and Charge Transfer in the Self-Assembly of Croconic Acid on Au(111) and Ag(111) Journal of Physical Chemistry C. 119: 26429-26437. DOI: 10.1021/Acs.Jpcc.5B06589  1
2015 Falls Z, Lonie DC, Avery P, Shamp A, Zurek E. XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction Computer Physics Communications. DOI: 10.1016/j.cpc.2015.09.018  1
2015 Bejarano AM, García LE, Zurek EE. Detection of source code similitude in academic environments Computer Applications in Engineering Education. 23: 13-22. DOI: 10.1002/cae.21571  1
2014 Seel AG, Zurek E, Ramirez-Cuesta AJ, Ryan KR, Lodge MT, Edwards PP. Low energy structural dynamics and constrained libration of Li(NH3)4, the lowest melting point metal. Chemical Communications (Cambridge, England). 50: 10778-81. PMID 24988060 DOI: 10.1039/C4Cc03397C  1
2014 Beniwal S, Chen S, Kunkel DA, Hooper J, Simpson S, Zurek E, Zeng XC, Enders A. Kagome-like lattice of π-π stacked 3-hydroxyphenalenone on Cu(111). Chemical Communications (Cambridge, England). 50: 8659-62. PMID 24957918 DOI: 10.1039/C4Cc03523B  1
2014 Bovino MT, Liwosz TW, Kendel NE, Miller Y, Tyminska N, Zurek E, Chemler SR. Enantioselective copper-catalyzed carboetherification of unactivated alkenes. Angewandte Chemie (International Ed. in English). 53: 6383-7. PMID 24798697 DOI: 10.1002/Anie.201402462  1
2014 Vargas JA, Hernandez RJ, Zurek EE, Hernandez OE. Neck model optimization using genetic algorithms with objective function output feedback Conference Record - Ieee Instrumentation and Measurement Technology Conference. 1095-1097. DOI: 10.1109/I2MTC.2014.6860911  1
2014 Dannenhoffer A, Baker J, Pantano N, Stachowski J, Zemla D, Swanson W, Zurek E, Szczepankiewicz S, Kozik M. Dimerization of cobalt-substituted Keggin phosphotungstate, [PW11O39Co(X)]5-, in nonpolar solvents Journal of Coordination Chemistry. 67: 2830-2842. DOI: 10.1080/00958972.2014.956664  1
2014 Falls Z, Tyminska N, Zurek E. The dynamic equilibrium between (AlOMe)n cages and (AlOMe)n·(AlMe3)m nanotubes in methylaluminoxane (MAO): A first-principles investigation Macromolecules. 47: 8556-8569. DOI: 10.1021/Ma501892V  1
2014 Hooper J, Terpstra T, Shamp A, Zurek E. Composition and constitution of compressed strontium polyhydrides Journal of Physical Chemistry C. 118: 6433-6447. DOI: 10.1021/Jp4125342  1
2014 Pritchard BP, Simpson S, Zurek E, Autschbach J. Computation of chemical shifts for paramagnetic molecules: A laboratory experiment for the undergraduate curriculum Journal of Chemical Education. 91: 1058-1063. DOI: 10.1021/Ed400902C  1
2014 Hooper J, Kunkel DA, Simpson S, Beniwal S, Enders A, Zurek E. Chiral surface networks of 3-HPLN - A molecular analog of rounded triangle assembly Surface Science. 629: 65-74. DOI: 10.1016/J.Susc.2014.04.015  1
2014 Zurek EE, Moreno WA, García-Rubio LH. A numerical simulation model to facilitate the understanding of the properties of a diffraction grating Computer Applications in Engineering Education. 22: 187-194. DOI: 10.1002/Cae.20544  1
2013 Wach A, Chen J, Falls Z, Lonie D, Mojica ER, Aga D, Autschbach J, Zurek E. Determination of the structures of molecularly imprinted polymers and xerogels using an automated stochastic approach. Analytical Chemistry. 85: 8577-84. PMID 23927764 DOI: 10.1021/Ac402004Z  1
2013 Hernández OE, Zurek EE. Teaching and learning the Hodgkin-Huxley model based on software developed in NEURON's programming language hoc. Bmc Medical Education. 13: 70. PMID 23675833 DOI: 10.1186/1472-6920-13-70  1
2013 Zurek E, Szymański P, Mikiciuk-Olasik E. Synthesis and biological activity of new donepezil-hydrazinonicotinamide hybrids. Drug Research. 63: 137-44. PMID 23447117 DOI: 10.1055/s-0033-1333735  1
2013 Gutierrez CA, Garcia X, Zurek EE, Salazar A. Statistical model of a signal of Raman spectroscopy: Detection Symposium of Signals, Images and Artificial Vision - 2013, Stsiva 2013. DOI: 10.1109/STSIVA.2013.6644935  1
2013 Zurek EE, Guerrero G, Reyes C, Hernandez RJ, Jabba D, Wightman PM, Salazar A, Torres JE, Nieto-Bernal W. Fast identification process of library call numbers for on the shelf books using image processing and artificial intelligence techniques Isiea 2013 - 2013 Ieee Symposium On Industrial Electronics and Applications. 222-226. DOI: 10.1109/ISIEA.2013.6738998  1
2013 Capacho J, Mancilla A, Zurek EE, Salazar A. Assessment of virtual spaces learning processes using state machines Isiea 2013 - 2013 Ieee Symposium On Industrial Electronics and Applications. 178-183. DOI: 10.1109/ISIEA.2013.6738990  1
2013 Rodriguez M, Jabba D, Zurek EE, Salazar A, Wightmam P, Barros A, Nieto W. Analyzing power and energy consumption of large join queries in database systems Isiea 2013 - 2013 Ieee Symposium On Industrial Electronics and Applications. 148-153. DOI: 10.1109/ISIEA.2013.6738985  1
2013 Wightman P, Zurbaran M, Zurek E, Salazar A, Jabba D, Jimeno M. θ-Rand: Random noise-based location obfuscation based on circle sectors Isiea 2013 - 2013 Ieee Symposium On Industrial Electronics and Applications. 100-104. DOI: 10.1109/ISIEA.2013.6738976  1
2013 Vargas JA, Zurek EE, Torres JE, Hernandez RJ, Pacheco JA. Thermal analysis of GMAW process using Finite Element Method and experimental data Conference Record - Ieee Instrumentation and Measurement Technology Conference. 1001-1005. DOI: 10.1109/I2MTC.2013.6555566  1
2013 Ruiz DJ, Galvis JC, Hernandez RJ, Zurek EE. Bond-Graph model of axial vibrations in a Drill-Hand-Arm system Conference Record - Ieee Instrumentation and Measurement Technology Conference. 49-52. DOI: 10.1109/I2MTC.2013.6555379  1
2013 Gonzalez L, Zurbarán M, Wightman P, Jabba D, Jimeno M, Zurek E. Sensitivity analysis and countermeasures for transformation-based location obfuscation Proceedings - International Carnahan Conference On Security Technology. 2014. DOI: 10.1109/CCST.2014.6987048  1
2013 Lonie DC, Hooper J, Altintas B, Zurek E. Metallization of magnesium polyhydrides under pressure Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.054107  1
2013 Kunkel DA, Hooper J, Simpson S, Rojas GA, Ducharme S, Usher T, Zurek E, Enders A. Proton transfer in surface-stabilized chiral motifs of croconic acid Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.041402  1
2013 Kunkel DA, Hooper J, Simpson S, Beniwal S, Morrow KL, Smith DC, Cousins K, Ducharme S, Zurek E, Enders A. Rhodizonic acid on noble metals: Surface reactivity and coordination chemistry Journal of Physical Chemistry Letters. 4: 3413-3419. DOI: 10.1021/Jz4016124  1
2013 Simpson S, Kunkel DA, Hooper J, Nitz J, Dowben PA, Routaboul L, Braunstein P, Doudin B, Enders A, Zurek E. Coverage-dependent interactions at the organics-metal interface: Quinonoid zwitterions on Au(111) Journal of Physical Chemistry C. 117: 16406-16415. DOI: 10.1021/Jp403384H  1
2013 Hooper J, Altintas B, Shamp A, Zurek E. Polyhydrides of the alkaline earth metals: A look at the extremes under pressure Journal of Physical Chemistry C. 117: 2982-2992. DOI: 10.1021/Jp311571N  1
2013 Simpson S, Van Fleet A, Zurek E. A computational investigation of a molecular switch Journal of Chemical Education. 90: 1528-1532. DOI: 10.1021/Ed400278X  1
2013 Simpson S, Autschbach J, Zurek E. Computational modeling of the optical rotation of amino acids: An 'in silico' experiment for physical chemistry Journal of Chemical Education. 90: 656-660. DOI: 10.1021/Ed300680G  1
2013 Simpson S, Lonie DC, Chen J, Zurek E. A computational experiment on single-walled carbon nanotubes Journal of Chemical Education. 90: 651-655. DOI: 10.1021/Ed3006067  1
2012 Shamp A, Hooper J, Zurek E. Compressed cesium polyhydrides: Cs+ sublattices and H3(-) three-connected nets. Inorganic Chemistry. 51: 9333-42. PMID 22897718 DOI: 10.1021/Ic301045V  1
2012 Hanwell MD, Curtis DE, Lonie DC, Vandermeersch T, Zurek E, Hutchison GR. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. Journal of Cheminformatics. 4: 17. PMID 22889332 DOI: 10.1186/1758-2946-4-17  1
2012 Suen NT, Hooper J, Zurek E, Bobev S. On the nature of Ge-Pb bonding in the solid state. Synthesis, structural characterization, and electronic structures of two unprecedented germanide-plumbides. Journal of the American Chemical Society. 134: 12708-16. PMID 22770535 DOI: 10.1021/Ja3042838  1
2012 Kunkel DA, Simpson S, Nitz J, Rojas GA, Zurek E, Routaboul L, Doudin B, Braunstein P, Dowben PA, Enders A. Dipole driven bonding schemes of quinonoid zwitterions on surfaces. Chemical Communications (Cambridge, England). 48: 7143-5. PMID 22692103 DOI: 10.1039/C2Cc32462H  1
2012 Rojas G, Simpson S, Chen X, Kunkel DA, Nitz J, Xiao J, Dowben PA, Zurek E, Enders A. Surface state engineering of molecule-molecule interactions. Physical Chemistry Chemical Physics : Pccp. 14: 4971-6. PMID 22395096 DOI: 10.1039/C2Cp40254H  1
2012 Hooper J, Zurek E. Rubidium polyhydrides under pressure: emergence of the linear H3(-) species. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 5013-21. PMID 22392860 DOI: 10.1002/Chem.201103205  1
2012 Jabba D, Rodriguez M, Berdugo G, Calle M, Jimeno MA, Zurek EE. A pattern recognition procedure for the identification of digital numbers in electrical meters using Neural Networks Isiea 2012 - 2012 Ieee Symposium On Industrial Electronics and Applications. 315-320. DOI: 10.1109/ISIEA.2012.6496651  1
2012 Zurek EE, Varela I, Pena R. Prototyping of a microprocessor based on a modular graphic description Isiea 2012 - 2012 Ieee Symposium On Industrial Electronics and Applications. 214-218. DOI: 10.1109/ISIEA.2012.6496631  1
2012 Vargas JA, Zurek EE, Torres JE, Hernandez RJ. Methodology to develop an intelligent transfemoral prosthesis 2012 Ieee I2mtc - International Instrumentation and Measurement Technology Conference, Proceedings. 1045-1049. DOI: 10.1109/I2MTC.2012.6229417  1
2012 Muñoz VJ, Zurek EE, Garcia DA, Pacheco JA. A teaching approach based on the numerical simulation of acoustic noise generated by engine in industrial environments 2012 Ieee I2mtc - International Instrumentation and Measurement Technology Conference, Proceedings. 407-411. DOI: 10.1109/I2MTC.2012.6229259  1
2012 Mass J, Polo A, Martnez O, López W, Zurek E, Esmeral M, Delgado J, Alvarez H, Garca L. Identification of explosive substances through improved signals obtained by a portable Raman spectrometer Spectroscopy Letters. 45: 413-419. DOI: 10.1080/00387010.2011.627528  1
2012 Hooper J, Baettig P, Zurek E. Pressure induced structural transitions in KH, RbH, and CsH Journal of Applied Physics. 111. DOI: 10.1063/1.4726210  1
2012 Jewell AD, Simpson SM, Enders A, Zurek E, Sykes ECH. Magic electret clusters of 4-fluorostyrene on metal surfaces Journal of Physical Chemistry Letters. 3: 2069-2075. DOI: 10.1021/Jz3006783  1
2012 Hooper J, Zurek E. High pressure potassium polyhydrides: A chemical perspective Journal of Physical Chemistry C. 116: 13322-13328. DOI: 10.1021/Jp303024H  1
2012 Simpson S, Zurek E. Substituted benzene derivatives on the Cu(111) surface Journal of Physical Chemistry C. 116: 12636-12643. DOI: 10.1021/Jp302682N  1
2012 Suen NT, Hooper J, Zurek E, Bobev S. On the nature of Ge-Pb bonding in the solid state. synthesis, structural characterization, and electronic structures of two unprecedented germanide-plumbides Journal of the American Chemical Society. 134: 12708-12716. DOI: 10.1021/ja3042838  1
2012 Lonie DC, Zurek E. Identifying duplicate crystal structures: XtalComp, an open-source solution Computer Physics Communications. 183: 690-697. DOI: 10.1016/J.Cpc.2011.11.007  1
2012 Hooper J, Zurek E. Lithium subhydrides under pressure and their superatom-like building blocks Chempluschem. 77: 969-972. DOI: 10.1002/Cplu.201200130  1
2011 Baettig P, Zurek E. Pressure-stabilized sodium polyhydrides: NaH(n) (n>1). Physical Review Letters. 106: 237002. PMID 21770539 DOI: 10.1103/Physrevlett.106.237002  1
2011 Szymański P, Janik A, Zurek E, Mikiciuk-Olasik E. Design, synthesis and biological evaluation of new 2-benzoxazolinone derivatives as potential cholinesterase inhibitors for therapy of alzheimer's disease. Die Pharmazie. 66: 399-403. PMID 21699076 DOI: 10.1691/ph.2011.0815  1
2011 Zurek E. Alkali metals in ethylenediamine: a computational study of the optical absorption spectra and NMR parameters of [M(en)3(δ+)·M(δ-)] ion pairs. Journal of the American Chemical Society. 133: 4829-39. PMID 21366240 DOI: 10.1021/Ja1085244  1
2011 Zurek E, Wen XD, Hoffmann R. (Barely) solid Li(NH3)4: the electronics of an expanded metal. Journal of the American Chemical Society. 133: 3535-47. PMID 21341645 DOI: 10.1021/Ja109397K  1
2011 Lonie DC, Zurek E. XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction Computer Physics Communications. 182: 2305-2306. DOI: 10.1016/J.Cpc.2011.06.003  1
2011 Lonie DC, Zurek E. XtalOpt: An open-source evolutionary algorithm for crystal structure prediction Computer Physics Communications. 182: 372-387. DOI: 10.1016/J.Cpc.2010.07.048  1
2011 Zurek E, Autschbach J. Density functional calculations of NMR chemical shifts in carbon nanotubes Rsc Theoretical and Computational Chemistry Series. 279-306.  1
2010 Zurek E, Jepsen O, Andersen OK. Searching for the interlayer band and unravelling the bonding in beta-ThSi(2) and alpha-ThSi(2) with NMTO Wannier-like functions. Inorganic Chemistry. 49: 1384-96. PMID 20067284 DOI: 10.1021/Ic9014515  1
2010 Janik A, Szymański P, Zurek E, Mikiciuk-Olasik E. Synthesis and biological evaluation of 2-benzoxazolinone derivatives as potential cholinesterase inhibitors for Alzheimer's disease therapy and/or diagnostic | Synteza i analiza aktywności enzymatycznej pochodnych 2-benzoksazolinonu jako potencjalnych inhibitorów esteraz cholinowych o potencjalnym zastosowaniu w terapii i/lub diagnostyce choroby Alzheimera Farmaceutyczny Przeglad Naukowy. 7: 28-33.  1
2009 Zurek E, Edwards PP, Hoffmann R. A molecular perspective on lithium-ammonia solutions. Angewandte Chemie (International Ed. in English). 48: 8198-232. PMID 19821473 DOI: 10.1002/Anie.200900373  1
2009 Zurek E, Hoffmann R, Ashcroft NW, Oganov AR, Lyakhov AO. A little bit of lithium does a lot for hydrogen. Proceedings of the National Academy of Sciences of the United States of America. 106: 17640-3. PMID 19805046 DOI: 10.1073/Pnas.0908262106  1
2009 Zurek E, Pickard CJ, Autschbach J. A density functional study of the 13C NMR chemical shifts in fluorinated single-walled carbon nanotubes. The Journal of Physical Chemistry. A. 113: 4117-24. PMID 19239235 DOI: 10.1021/Jp810523X  1
2009 Zurek E, Autschbach J. NMR computations for carbon nanotubes from first principles: Present status and future directions International Journal of Quantum Chemistry. 109: 3343-3367. DOI: 10.1002/Qua.22211  1
2009 Zurek E, Edwards PP, Hoffmann R. Lithium‐Ammoniak‐Lösungen: eine molekulare Betrachtung Angewandte Chemie. 121: 8344-8381. DOI: 10.1002/Ange.200900373  1
2008 Zurek E, Autschbach J, Malinowski N, Enders A, Kern K. Experimental and theoretical investigations of the thermodynamic stability of Ba-c(60) and K-C(60) compound clusters. Acs Nano. 2: 1000-14. PMID 19206498 DOI: 10.1021/Nn800022D  1
2008 Zurek EE, Moreno WA, García-Rubio LH. A numerical approach to simplify the diffraction grating model Conference Record - Ieee Instrumentation and Measurement Technology Conference. 2108-2113. DOI: 10.1109/IMTC.2008.4547396  1
2008 Zurek E, Pickard CJ, Autschbach J. Determining the diameter of functionalized single-walled carbon nanotubes with13C NMR: A theoretical study Journal of Physical Chemistry C. 112: 9267-9271. DOI: 10.1021/Jp800873C  1
2007 Mikiciuk-Olasik E, Szymański P, Zurek E. Diagnostics and therapy of Alzheimer's disease. Indian Journal of Experimental Biology. 45: 315-25. PMID 17477302  1
2007 Zurek E, Pickard CJ, Autschbach J. A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubes. Journal of the American Chemical Society. 129: 4430-9. PMID 17371025 DOI: 10.1021/Ja069110H  1
2007 Zurek E, Autschbach J. Density functional studies of the 13C NMR chemical shifts in single - Walled carbon nanotubes Aip Conference Proceedings. 963: 1425-1428. DOI: 10.1063/1.2836022  1
2007 Zurek E, Autschbach J, Andersen OK. Downfolding and N-ization of basis sets of Slater type orbitals Aip Conference Proceedings. 963: 1421-1424. DOI: 10.1063/1.2836021  1
2006 Zurek E, Pickard CJ, Walczak B, Autschbach J. Density functional study of the 13C NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes. The Journal of Physical Chemistry. A. 110: 11995-2004. PMID 17064188 DOI: 10.1021/Jp064540F  1
2006 Szymański P, Zurek E, Mikiciuk-Olasik E. New tacrine-hydrazinonicotinamide hybrids as acetylcholinesterase inhibitors of potential interest for the early diagnostics of Alzheimer's disease. Die Pharmazie. 61: 269-73. PMID 16649535  1
2006 Enders A, Malinowski N, Ievlev D, Zurek E, Autschbach J, Kern K. Magic alkali-fullerene compound clusters of extreme thermal stability Journal of Chemical Physics. 125. DOI: 10.1063/1.2400027  1
2005 Zurek E, Jepsen O, Andersen OK. Muffin-tin orbital Wannier-like functions for insulators and metals. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1934-42. PMID 16144010 DOI: 10.1002/Cphc.200500133  1
2004 Białasiewicz W, Kwapiszewski W, Zurek E, Olczak A, Główka M, Polakowski R. Synthesis, structure and pharmacology of acyl-2,6-xylidines. Acta Poloniae Pharmaceutica. 61: 215-21. PMID 15481248  1
2004 Zurek E, Autschbach J. Density functional calculations of the 13C NMR chemical shifts in (9,0) single-walled carbon nanotubes. Journal of the American Chemical Society. 126: 13079-88. PMID 15469306 DOI: 10.1021/Ja047941M  1
2004 Mikiciuk-Olasik E, Baszczak-Swiatkiewiz K, Zurek E, Krajewska U, Rózalski M, Kruszyrński R, Bartczak TJ. New derivatives of quinazoline and 1,2-dihydroquinazoline N 3-oxide with expected antitumor activity Archiv Der Pharmazie. 337: 239-246. PMID 15095417 DOI: 10.1002/ardp.200100656  1
2004 Zurek E, Ziegler T. Theoretical studies of the structure and function of MAO (methylaluminoxane) Progress in Polymer Science (Oxford). 29: 107-148. DOI: 10.1016/J.Progpolymsci.2003.10.003  1
2003 Zurek E, Ziegler T. A theoretical study of the insertion barrier of MAO methylaluminoxane)-activated, Cp2ZrMe2-catalyzed ethylene polymerization: further evidence for the structural assignment of active and dormant species. Faraday Discussions. 124: 93-109; discussion 1. PMID 14527212 DOI: 10.1039/B209455J  1
2003 Autschbach J, Zurek E. Relativistic density-functional computations of the chemical shift of 129Xe in XeΓ60 Journal of Physical Chemistry A. 107: 4967-4972. DOI: 10.1021/Jp0346559  1
2003 Zurek E, Ziegler T. A theoretical study of the insertion barrier of MAO (methylaluminoxane)- activated, Cp2ZrMe2-catalyzed ethylene polymerization: Further evidence for the structural assignment of active and dormant species Faraday Discussions. 124: 93-109.  1
2002 Zurek EE, Leffew J, Moreno WA. Objective evaluation of voice clarity measurements for VoIP compression algorithms Iccdcs 2002 - 4th Ieee International Caracas Conference On Devices, Circuits and Systems. DOI: 10.1109/ICCDCS.2002.1004116  1
2002 Xu Z, Vanka K, Firman T, Michalak A, Zurek E, Zhu C, Ziegler T. Theoretical study of the interactions between cations and anions in group IV transition-metal catalysts for single-site homogeneous olefin polymerization Organometallics. 21: 2444-2453. DOI: 10.1021/Om011057C  1
2002 Zurek E, Ziegler T. Toward the identification of dormant and active species in MAO (methylaluminoxane)-activated, dimethylzirconocene-catalyzed olefin polymerization Organometallics. 21: 83-92. DOI: 10.1021/Om010812J  1
2001 Zurek E, Ziegler T. A combined quantum mechanical and statistical mechanical study of the equilibrium of trimethylaluminum (TMA) and oligomers of (AIOCH3)n found in methylaluminoxane (MAO) solution Inorganic Chemistry. 40: 3279-3292. PMID 11421671 DOI: 10.1021/Ic001444Z  1
2001 Zurek E, Woo TK, Firman TK, Ziegler T. Modeling the dynamic equilibrium between oligomers of (AlOCH3)n in methylaluminoxane (MAO). A theoretical study based on a combined quantum mechanical and statistical mechanical approach. Inorganic Chemistry. 40: 361-70. PMID 11170544 DOI: 10.1021/ic000845b  1
1999 Krezel I, Mikiciuk-Olasik E, Zurek E, Glówka ML. New mitoguazone analogues with anticancer activity Pharmacy and Pharmacology Communications. 5: 485-490.  1
1999 Kwapiszewski W, Białasiewicz W, Zurek E, Główka ML, Olczak A. Synthesis of optically active 2-(pyrrolidino- and 4-methylpiperazino)alkanoic acids Acta Poloniae Pharmaceutica - Drug Research. 56: 41-47.  1
1996 Boyd RK, Henion JD, Alexander M, Budde WL, Gilbert JD, Musser SM, Palmer C, Zurek EK. Mass spectrometry and good laboratory practices. Journal of the American Society For Mass Spectrometry. 7: 211-8. PMID 24203245 DOI: 10.1016/1044-0305(95)00631-1  1
1995 Witte K, Zurek EL. Sexuality: a cultural diversity issue Creative Nursing. 1: 10-12. PMID 8574793  1
1995 Zurek E, Foxcroft GR, Kennelly JJ. Metabolic status and interval to first ovulation in postpartum dairy cows Journal of Dairy Science. 78: 1909-1920. PMID 8550900  1
1986 Zurek EC. Part time farming in the Federal Republic of Germany Sociologia Ruralis. 26: 377-384. DOI: 10.1111/j.1467-9523.1986.tb00793.x  1
Show low-probability matches.