| Year |
Citation |
Score |
| 2021 |
Boeri L, Hennig RG, Hirschfeld PJ, Profeta G, Sanna A, Zurek E, Pickett WE, Amsler M, Dias R, Eremets M, Heil C, Hemley R, Liu H, Ma Y, Pierleoni C, et al. The 2021 Room-Temperature Superconductivity Roadmap. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34544070 DOI: 10.1088/1361-648X/ac2864 |
0.629 |
|
| 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 |
0.499 |
|
| 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 |
0.302 |
|
| 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 |
0.322 |
|
| 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 |
0.302 |
|
| 2020 |
Cui W, Bi T, Shi J, Li Y, Liu H, Zurek E, Hemley RJ. Route to high-
Tc
superconductivity via
CH4
-intercalated
H3S
hydride perovskites Physical Review B. 101. DOI: 10.1103/Physrevb.101.134504 |
0.315 |
|
| 2020 |
Cui X, Hilleke KP, Wang X, Lu M, Zhang M, Zurek E, Li W, Zhang D, Yan Y, Bi T. RbB3Si3: An Alkali Metal Borosilicide that is Metastable and Superconducting at 1 atm The Journal of Physical Chemistry C. 124: 14826-14831. DOI: 10.1021/Acs.Jpcc.0C04617 |
0.316 |
|
| 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 |
0.382 |
|
| 2019 |
Miller DP, Phillips A, Ludowieg H, Swihart S, Autschbach J, Zurek E. The Computational Design of Two-Dimensional Materials Journal of Chemical Education. 96: 2308-2314. DOI: 10.1021/Acs.Jchemed.9B00485 |
0.374 |
|
| 2019 |
Li W, Lu M, Zurek E, Xu X, Chen L, Zhang M, Gao L, Zhong X, Li J, Zhou X, Liu W. Crystal structures of silicon-rich lithium silicides at high pressure Physics Letters A. 383: 1047-1051. DOI: 10.1016/J.Physleta.2018.12.022 |
0.348 |
|
| 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 |
0.634 |
|
| 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 |
0.331 |
|
| 2018 |
Zarifi N, Bi T, Liu H, Zurek E. Crystal Structures and Properties of Iron Hydrides at High Pressure The Journal of Physical Chemistry C. 122: 24262-24269. DOI: 10.1021/Acs.Jpcc.8B06934 |
0.377 |
|
| 2018 |
Mishra AK, Muramatsu T, Liu H, Geballe ZM, Somayazulu M, Ahart M, Baldini M, Meng Y, Zurek E, Hemley RJ. New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen The Journal of Physical Chemistry C. 122: 19370-19378. DOI: 10.1021/Acs.Jpcc.8B05030 |
0.371 |
|
| 2018 |
Shelton H, Bi T, Zurek E, Smith J, Dera P. The Ideal Crystal Structure of Cristobalite X-I: A Bridge in SiO2Densification The Journal of Physical Chemistry C. 122: 17437-17446. DOI: 10.1021/Acs.Jpcc.8B04282 |
0.303 |
|
| 2018 |
Ye X, Zarifi N, Zurek E, Hoffmann R, Ashcroft NW. High Hydrides of Scandium under Pressure: Potential Superconductors The Journal of Physical Chemistry C. 122: 6298-6309. DOI: 10.1021/Acs.Jpcc.7B12124 |
0.469 |
|
| 2018 |
Zarifi N, Liu H, Tse JS, Zurek E. Crystal Structures and Electronic Properties of Xe–Cl Compounds at High Pressure The Journal of Physical Chemistry C. 122: 2941-2950. DOI: 10.1021/Acs.Jpcc.7B10810 |
0.365 |
|
| 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 |
0.348 |
|
| 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 |
0.337 |
|
| 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 |
0.527 |
|
| 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 |
0.323 |
|
| 2017 |
Moustafa SG, Schultz AJ, Zurek E, Kofke DA. Accurate and precise
ab initio
anharmonic free-energy calculations for metallic crystals: Application to hcp Fe at high temperature and pressure Physical Review B. 96. DOI: 10.1103/Physrevb.96.014117 |
0.314 |
|
| 2017 |
Shamp A, Zurek E, Ogitsu T, Fratanduono DE, Hamel S. Properties of
B4C
in the shocked state for pressures up to 1.5 TPa Physical Review B. 95. DOI: 10.1103/Physrevb.95.184111 |
0.333 |
|
| 2017 |
Avery P, Ludowieg H, Autschbach J, Zurek E. Extended Hückel Calculations on Solids Using the Avogadro Molecular Editor and Visualizer Journal of Chemical Education. 95: 331-337. DOI: 10.1021/Acs.Jchemed.7B00698 |
0.35 |
|
| 2017 |
Avery P, Zurek E. Corrigendum to “RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups” [Comput. Phys. Comm. 213 (2017) 208–216] Computer Physics Communications. 220: 509. DOI: 10.1016/J.Cpc.2017.05.017 |
0.326 |
|
| 2017 |
Avery P, Zurek E. RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups Computer Physics Communications. 213: 208-216. DOI: 10.1016/J.Cpc.2016.12.005 |
0.369 |
|
| 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 |
0.33 |
|
| 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 |
0.301 |
|
| 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 |
0.37 |
|
| 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 |
0.373 |
|
| 2016 |
Miller DP, Hooper J, Simpson S, Costa PS, Tymińska N, McDonnell SM, Bennett JA, Enders A, Zurek E. Electronic Structure of Iron Porphyrin Adsorbed to the Pt(111) Surface The Journal of Physical Chemistry C. 120: 29173-29181. DOI: 10.1021/Acs.Jpcc.6B09408 |
0.63 |
|
| 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 |
0.374 |
|
| 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 |
0.647 |
|
| 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 |
0.645 |
|
| 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 |
0.315 |
|
| 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 |
0.308 |
|
| 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 |
0.348 |
|
| 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 |
0.748 |
|
| 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 |
0.615 |
|
| 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 |
0.643 |
|
| 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 |
0.361 |
|
| 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 |
0.582 |
|
| 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 |
0.588 |
|
| 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 |
0.623 |
|
| 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 |
0.755 |
|
| 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 |
0.311 |
|
| 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 |
0.628 |
|
| 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 |
0.39 |
|
| 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 |
0.641 |
|
| 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 |
0.63 |
|
| 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 |
0.776 |
|
| 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 |
0.772 |
|
| 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 |
0.645 |
|
| 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 |
0.632 |
|
| 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 |
0.651 |
|
| 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 |
0.384 |
|
| 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 |
0.655 |
|
| 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 |
0.614 |
|
| 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 |
0.749 |
|
| 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 |
0.358 |
|
| 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 |
0.768 |
|
| 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 |
0.337 |
|
| 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 |
0.636 |
|
| 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 |
0.641 |
|
| 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 |
0.364 |
|
| 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 |
0.385 |
|
| 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 |
0.646 |
|
| 2012 |
Hooper J, Zurek E. High pressure potassium polyhydrides: A chemical perspective Journal of Physical Chemistry C. 116: 13322-13328. DOI: 10.1021/Jp303024H |
0.377 |
|
| 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 |
0.641 |
|
| 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 |
0.762 |
|
| 2012 |
Hooper J, Zurek E. Lithium subhydrides under pressure and their superatom-like building blocks Chempluschem. 77: 969-972. DOI: 10.1002/Cplu.201200130 |
0.355 |
|
| 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 |
0.305 |
|
| 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 |
0.483 |
|
| 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 |
0.766 |
|
| 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 |
0.768 |
|
| 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 |
0.486 |
|
| 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 |
0.479 |
|
| 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 |
0.32 |
|
| 2009 |
Zurek E, Edwards PP, Hoffmann R. Lithium‐Ammoniak‐Lösungen: eine molekulare Betrachtung Angewandte Chemie. 121: 8344-8381. DOI: 10.1002/Ange.200900373 |
0.333 |
|
| 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 |
0.338 |
|
| 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 |
0.33 |
|
| 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 |
0.331 |
|
| 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 |
0.323 |
|
| 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 |
0.302 |
|
| 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 |
0.324 |
|
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