Zhurova, Elizabeth A

Elizabeth A Zhurova
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Positions

Lecturer 9 Month, Chemistry & Biochemistry , College of Natural Sciences and Mathematics

Contact Info

Elizabeth.Zhurova@utoledo.edu

http://n/a

selected publications

Article (Faculty180)
- 2017
  
  Experimental Charge Density Study of the Intra- and Intermolecular Bonding in TKX-50. J. Phys. Chem.. 121:8962-8972.
- 2017
  
  Inter- and Intra-Molecular Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) – an Experimental and Theoretical QTAIM Analysis. Crystal Growth & Design. 17:5200-5207.
- 2016
  
  Charge Density and Electrostatic Potential Study of Receptor Binding Estrogen Molecules: 16α,17β-Estriol. J. Phys. Chem. B. 120:8882-8891.
- 2011
  
  Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density. J. Phys. Chem. A. 115:13016-13023.
- 2011
  
  Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution. J. Inorg. Chem. 50:6330-6333.
- 2011
  
  Importance of the Consideration of Anharmonic Motion in Charge-Density Studies: a Comparison of Variable - Temperature Studies on Two Explosives, RDX and HMX.. Acta Crystallogr. A. 67:160-173.
- 2011
  
  On the Transferability of QTAIMC Descriptors Derived from X-ray Diffraction Data and DFT Calculations: Substituted Hydropyrimidine Derivatives. Acta Crystallorg. B. 67:425-436.
- 2009
  
  17α-Estradiol ·1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding and Biological Activity in Comparison with Other Estrogens. J. Am. Chem. Soc.. 131:17260-17269.
- 2009
  
  Chemical Bonding and Structure-Reactivity Correlation in Meldrum’s Acid: A Combined Experimental and Theoretical Electron Density study. J. Org. Chem.. 74:2389-2395.
- 2008
  
  Experimental Electron Density Studies of Non-Steroidal Synthetic Estrogens: Diethylstilbestrol and Dienestrol. J. Mol. Struct.. 890:240-248.
- 2008
  
  Optimization and Evaluation of Data Quality for Charge Density Studies. J. Appl. Crystallogr.. 41:340-349.
- 2008
  
  Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality.. Organometallics. 27:900-907.
- 2008
  
  Variable Temperature Neutron Diffraction and X-Ray Charge Density Studies of Tetraacetylethane. J. Phys. Chem. A. 112:6667-6677.
- 2007
  
  Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study. J. Am. Chem. Soc.. 129:15013-15021.
- 2007
  
  Structure and Bonding in beta-HMX – Characterization of Transannular N ... N Interaction. J. Am. Chem. Soc.. 129:13887-13893.
- 2006
  
  Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal. J. Am. Chem. Soc.. 128:14728-14734.
- 2006
  
  Chemical Bonding in Pentaerythritol at Very Low Temperature or at High Pressure: an Experimental and Theoretical Study. Acta Crystallogr. B. 62:513-520.
- 2006
  
  Experimental and Theoretical Charge Density Study of Estrone. J. Am. Chem. Soc.. 128:8849-8861.
- 2006
  
  Molecular and Crystal Properties of Ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from Experimental and Theoretical Electron Densities. Acta Crystallogr. B. 62:676-688.
- 2006
  
  The Experimental Charge Density Study of 17beta-Estradiol·Urea. J. Phys. Chem. B. 110:26442-26447.
Article (Web of Science)
- 2017
  
  Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50. JOURNAL OF PHYSICAL CHEMISTRY A. 121:8962-8972.
  Full Text via DOI: 10.1021/acs.jpca.7b09367
- 2017
  
  Inter-and Intramolecular Bonding in 1,3,5-Triamino-2,4,6trinitrobenzene: An Experimental and Theoretical Quantum Theory of Atoms in Molecules (QTAIM) Analysis. CRYSTAL GROWTH & DESIGN. 17:5200-5207.
  Full Text via DOI: 10.1021/acs.cgd.7b00674
- 2016
  
  Charge Density and Electrostatic Potential Study of 16 alpha,17 beta-Estriol and the Binding of Estrogen Molecules to the Estrogen Receptors ER alpha and ER beta. JOURNAL OF PHYSICAL CHEMISTRY B. 120:8882-8891.
  Full Text via DOI: 10.1021/acs.jpcb.6b05961
- 2014
  
  Data quality as a driver for ever more subtle charge density analyses. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES. 70:C1550-C1550.
  Full Text via DOI: 10.1107/s2053273314084496
- 2011
  
  Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density. JOURNAL OF PHYSICAL CHEMISTRY A. 115:13016-13023.
  Full Text via DOI: 10.1021/jp204965b
- 2011
  
  On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 67:425-436.
  Full Text via DOI: 10.1107/S0108768111033015
- 2011
  
  Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution. INORGANIC CHEMISTRY. 50:6330-6333.
  Full Text via DOI: 10.1021/ic200759u
- 2011
  
  Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX. ACTA CRYSTALLOGRAPHICA SECTION A. 67:160-173.
  Full Text via DOI: 10.1107/S0108767310052219
- 2011
  
  Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX. ACTA CRYSTALLOGRAPHICA SECTION A. 67:160-173.
  Full Text via DOI: 10.1107/s0108767310052219
- 2011
  
  On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 67:425-436.
  Full Text via DOI: 10.1107/s0108768111033015
- 2009
  
  17 alpha-Estradiol center dot 1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 131:17260-17269.
  Full Text via DOI: 10.1021/ja906057z
- 2009
  
  Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study. JOURNAL OF ORGANIC CHEMISTRY. 74:2389-2395.
  Full Text via DOI: 10.1021/jo8027054
- 2009
  
  Getting the most from image-plate data. ACTA CRYSTALLOGRAPHICA SECTION A. 65:s75-s75.
  Full Text via DOI: 10.1107/s0108767309098547
- 2008
  
  Experimental electron density studies of non-steroidal synthetic estrogens: Diethylstilbestrol and dienestrol. JOURNAL OF MOLECULAR STRUCTURE. 890:240-248.
  Full Text via DOI: 10.1016/j.molstruc.2008.03.053
- 2008
  
  Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. JOURNAL OF PHYSICAL CHEMISTRY A. 112:6667-6677.
  Full Text via DOI: 10.1021/jp800204r
- 2008
  
  Optimization and evaluation of data quality for charge density studies. JOURNAL OF APPLIED CRYSTALLOGRAPHY. 41:340-349.
  Full Text via DOI: 10.1107/S0021889808004482
- 2008
  
  Toward an understanding of 1,5-asymmetric induction during nucleophilic addition to (Arene)chromium tricarbonyl complexes: Conformational preference of the chromium tricarbonyl tripod for transmission of chirality. ORGANOMETALLICS. 27:900-907.
  Full Text via DOI: 10.1021/om701117r
- 2008
  
  Chemical bonding in energetic RDX: an experimental and theoretical study. ACTA CRYSTALLOGRAPHICA SECTION A. 64:C570-C570.
  Full Text via DOI: 10.1107/s0108767308081683
- 2008
  
  Optimization and evaluation of data quality for charge density studies. JOURNAL OF APPLIED CRYSTALLOGRAPHY. 41:340-349.
  Full Text via DOI: 10.1107/s0021889808004482
- 2007
  
  Binding of genistein to the estrogen receptor based on an experimental electron density study. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 129:15013-15021.
  Full Text via DOI: 10.1021/ja075211j
- 2007
  
  Structure and bonding in beta-HMX-characterization of a trans-annular N---N interaction. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 129:13887-13893.
  Full Text via DOI: 10.1021/ja073801b
- 2006
  
  Experimental charge density study of estrogens: 17 beta-Estradiol center dot urea. JOURNAL OF PHYSICAL CHEMISTRY B. 110:26442-26447.
  Full Text via DOI: 10.1021/jp065638x
- 2006
  
  Atoms-in-molecules study of intra- and intermolecular bonding in the pentaerythritol tetranitrate crystal. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 128:14728-14734.
  Full Text via DOI: 10.1021/ja0658620
- 2006
  
  Experimental and theoretical electron density study of estrone. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 128:8849-8861.
  Full Text via DOI: 10.1021/ja061080v
- 2006
  
  Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. 62:513-520.
  Full Text via DOI: 10.1107/S0108768106008329
- 2006
  
  Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 62:513-520.
  Full Text via DOI: 10.1107/s0108768106008329
- 2006
  
  Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 62:676-688.
  Full Text via DOI: 10.1107/s0108768106016326
- 2005
  
  Accurate charge density data collection in under a day with a home X-ray source. JOURNAL OF APPLIED CRYSTALLOGRAPHY. 38:827-829.
  Full Text via DOI: 10.1107/S002188980501856X
- 2005
  
  Accurate charge densities in under a day with a home X-ray source. ACTA CRYSTALLOGRAPHICA SECTION A. 61:c423-c423.
  Full Text via DOI: 10.1107/s0108767305082152
- 2005
  
  Accurate charge density data collection in under a day with a home X-ray source. JOURNAL OF APPLIED CRYSTALLOGRAPHY. 38:827-829.
  Full Text via DOI: 10.1107/s002188980501856x
- 2005
  
  Electron-density properties of the functionally-substituted hydropyrimidines. ACTA CRYSTALLOGRAPHICA SECTION A. 61:c427-c427.
  Full Text via DOI: 10.1107/s0108767305081997
- 2004
  
  Electronic Energy Distributions in Energetic Materials: NTO and the Biguanidinium Dinitramides. JOURNAL OF PHYSICAL CHEMISTRY B. 108:20173-20179.
  Full Text via DOI: 10.1021/jp0470997
- 2003
  
  A standard local coordinate system for multipole refinements of the estrogen core structure. JOURNAL OF APPLIED CRYSTALLOGRAPHY. 36:1464-1466.
  Full Text via DOI: 10.1107/s0021889803017825
- 2003
  
  Dinitramide Ion: Robust Molecular Charge Topology Accompanies an Enhanced Dipole Moment in Its Ammonium Salt. JOURNAL OF PHYSICAL CHEMISTRY B. 107:14576-14589.
  Full Text via DOI: 10.1021/jp036180r
- 2003
  
  Energetic materials: variable-temperature crystal structure of β-NTO. JOURNAL OF APPLIED CRYSTALLOGRAPHY. 36:280-285.
  Full Text via DOI: 10.1107/s002188980300092x
- 2002
  
  Atomic interactions in energetic materials: NTO, (BIGH)(DN) and (BIGH2)(DN)2. ACTA CRYSTALLOGRAPHICA SECTION A. 58:c354-c354.
  Full Text via DOI: 10.1107/s0108767302099142
- 2002
  
  Characterizing the Oxygen−Oxygen Interaction in the Dinitramide Anion. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 124:4574-4575.
  Full Text via DOI: 10.1021/ja0257570
- 2002
  
  Chemical Bonding in Biguanidinium Dinitramide and Biguanidinium Bis-Dinitramide from Experimental X-ray Diffraction Data. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 124:8741-8750.
  Full Text via DOI: 10.1021/ja0176245
- 2002
  
  Electron density and energy density view on the atomic interactions in SrTiO3. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 58:567-575.
  Full Text via DOI: 10.1107/s0108768102009692
- 2001
  
  Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 57:113-118.
  Full Text via DOI: 10.1107/s0108768100018887
- 2001
  
  Chemical bonding in energetic materials: β-NTO. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 57:359-365.
  Full Text via DOI: 10.1107/s0108768100020048
- 2001
  
  Topological analysis of electrostatic potential in SrTiO3. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS. 62:2143-2146.
  Full Text via DOI: 10.1016/s0022-3697(01)00171-8
- 2000
  
  Electron density and atomic displacements in KTaO3. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 56:594-600.
  Full Text via DOI: 10.1107/s0108768100003906
- 2000
  
  Electron density of KNiF3: analysis of the atomic interactions. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 56:197-203.
  Full Text via DOI: 10.1107/s0108768199015529
- 2000
  
  Preliminary Results for a Charge Density Study of Estrone. ACTA CRYSTALLOGRAPHICA SECTION A. 56:s185-s185.
  Full Text via DOI: 10.1107/s0108767300024156
- 1999
  
  Electron density and electrostatic potential of KNiF3: multipole, orbital and topological analyses of vacuum-camera-imaging plate and four-circle diffractometer data. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 55:923-930.
  Full Text via DOI: 10.1107/s0108768199009374
- 1999
  
  Electron density study of KNiF3 by the vacuum-camera-imaging plate method. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE. 55:917-922.
  Full Text via DOI: 10.1107/s010876819900871x
- 1993
  
  Electron Density and Anharmonic Thermal Atomic Vibrations in K1_ xLixTaO3 (x=0, 0.05, 0.15) Perovskites. Zeitschrift für Naturforschung A. 48:25-28.
  Full Text via DOI: 10.1515/zna-1993-1-208
Chapter (Faculty180)
- 2003
  
  X-ray Crystallography – Beyond Structure in Energetic Materials. Energetic Materials. Elsevier Science. 215-245.
- 1991
  
  Anharmonicity of Atomic Thermal Motion in Crystals and Associated Effects. Problems of Crystal Chemistry. Nauka. 115-186.
Meeting Abstract (Web of Science)
- 1996
  
  Specific features of defect structure of Na0.39Y0.61F2.22crystals. ACTA CRYSTALLOGRAPHICA SECTION A. C334-C334.
  Full Text via DOI: 10.1107/s0108767396086151
Review Article (Web of Science)
- 2006
  
  Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. 676-688.
  Full Text via DOI: 10.1107/S0108768106016326

full name

Elizabeth A Zhurova

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