Eunja Kim

发表

Structural stability and vibrational properties of hydrogen complexes in silicon

Eunja Kim, K. Lee, Hyunil Lee, 1992 .

Mechanism of fullerene hydrogenation by polyamines: Ab initio density functional calculations

D. Tománek, Eunja Kim, P. Weck, 2008 .

First measurements of N-subjettiness in central Pb-Pb collisions at $$ \sqrt{s_{\mathrm{NN}}} $$ = 2.76 TeV

T. B. Skaali, E. C. Villar, P. Roy, 2021, Journal of High Energy Physics.

Technetium dichloride: a new binary halide containing metal-metal multiple bonds.

B. Scott, M. Kanatzidis, C. Malliakas, 2011, Journal of the American Chemical Society.

Structure-thermodynamics relationship of schoepite from first-principles.

Eunja Kim, P. Weck, C. Jové-Colón, 2019, Physical chemistry chemical physics : PCCP.

Zirconium chloride molecular species: combining electron impact mass spectrometry and first principles calculations

Eunja Kim, P. Weck, R. Alberto, 2019, SN Applied Sciences.

Lattice dynamics and thermomechanical properties of zirconium(IV) chloride: Evidence for low-temperature negative thermal expansion

Eunja Kim, P. Weck, F. Poineau, 2018 .

Structural relaxation of vacancies in amorphous silicon

Changfeng Chen, Eunja Kim, Young Hee Lee, 1997 .

Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO2 and Ce2O3.

Eunja Kim, P. Weck, 2016, Physical chemistry chemical physics : PCCP.

On the mechanical stability of uranyl peroxide hydrates: Implications for nuclear fuel degradation

E. Buck, Eunja Kim, P. Weck, 2015 .

Bulk modulus of the C60 molecule via the tight binding method

Eunja Kim, Young Hee Lee, I. Jeon, 1992 .

Discovery of the recoverable high-pressure iron oxide Fe4O5

S. Sutton, Y. Meng, R. Downs, 2011, Proceedings of the National Academy of Sciences.

Vertebrobasilar Occlusion Presenting as Sudden Isolated Bilateral Sensorineural Hearing Loss: Case Report

Eunja Kim, C. Kang, Yeong-Bae Lee, 2013, Journal of cerebrovascular and endovascular neurosurgery.

High pressure behavior of mercury difluoride (HgF2)

Eunja Kim, M. Pravica, E. Evlyukhin, 2019, Chemical Physics Letters.

Phosphorous dimerization in GaP at high pressure

W. Evans, Y. Meng, Eunja Kim, 2017, 1709.06667.

Equation of state for technetium from X‐ray diffraction and first-principle calculations

Eunja Kim, B. Lavina, E. Siska, 2016 .

Characterization of pentavalent and hexavalent americium complexes in nitric acid using X-ray absorption fine structure spectroscopy and first-principles modeling

Eunja Kim, P. Paviet, P. Weck, 2016, Journal of Radioanalytical and Nuclear Chemistry.

Interaction of cesium adatoms with free-standing graphene and graphene-veiled SiO2 surfaces

Eunja Kim, P. Weck, G. Biedermann, 2015 .

β-Technetium dichloride: solid-state modulated structure, electronic structure, and physical properties.

B. Scott, M. Kanatzidis, C. Malliakas, 2013, Journal of the American Chemical Society.

Crystal and electronic structures of neptunium nitrides synthesized using a fluoride route.

Eunja Kim, P. Weck, K. Czerwinski, 2012, Journal of the American Chemical Society.

On the structure of β-molybdenum dichloride.

Eunja Kim, P. Weck, F. Poineau, 2012, Inorganic chemistry.

Van der Waals forces and confinement in carbon nanopores: Interaction between CH4, COOH, NH3, OH, SH and single-walled carbon nanotubes

Yifeng Wang, Eunja Kim, P. Weck, 2016 .

Enhanced superconducting transition temperature in electroplated rhenium

B. Plourde, Eunja Kim, I. Arslan, 2018, 1803.02029.

The Effects of Diabetes Management Programs using Mobile App: A Systematic Review and a Meta-Analysis

Eunja Kim, Gaeun Kim, Hee Eon Kim, 2015 .

Assessing exchange-correlation functionals for elasticity and thermodynamics of α-ZrW2O8: A density functional perturbation theory study

C. Bryan, Eunja Kim, J. Greathouse, 2018 .

Infrared and Raman spectroscopy of α‐ZrW2O8: A comprehensive density functional perturbation theory and experimental study

Mark A. Rodriguez, C. Bryan, Eunja Kim, 2018 .

Crystal and Electronic Structures of A2NaIO6 Periodate Double Perovskites (A = Sr, Ca, Ba): Candidate Wasteforms for I-129 Immobilization.

K. Knight, N. Hyatt, Eunja Kim, 2020, Inorganic Chemistry.

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

R. Pellenq, Yifeng Wang, Eunja Kim, 2017, Scientific Reports.

Uncloaking the Thermodynamics of the Studtite to Metastudtite Shear-Induced Transformation

Eunja Kim, P. Weck, 2016 .

Reverse-martensitic hcp-to-fcc transformation in technetium under shock compression

Eunja Kim, T. Mattsson, P. Weck, 2018, Journal of Applied Physics.

High-pressure-assisted X-ray-induced damage as a new route for chemical and structural synthesis.

Eunja Kim, P. Weck, M. Pravica, 2018, Physical Chemistry, Chemical Physics - PCCP.

Structure Characterization and Steam Oxidation Performance of U3Si2 with Zr Alloying Additions

Eunja Kim, E. Sooby, E. Montoya, 2022, Journal of Nuclear Materials.

Ge(Si) Ordering on a Double-Layer, Stepped Si(Ge)(001) Surface

Young Hee Lee, Seung Mi Lee, Eunja Kim, 1998 .

Structural and magnetic properties of Tcn @ C60 endohedral metalofullerenes: First-principles predictions

D. Tománek, Eunja Kim, P. Weck, 2010 .

First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces

Edward J. Mausolf, Eunja Kim, P. Weck, 2014 .

Phosphorous dimerization in GaP at high pressure

W. Evans, Y. Meng, Eunja Kim, 2017, 1709.06667.

Structural studies on Na0.75CoO2 thermoelectric material at high pressures

M. Chance, T. Stemmler, Eunja Kim, 2009 .

Nanoscale building blocks for the development of novel proton exchange membrane fuel cells.

Eunja Kim, Chulsung Bae, P. Weck, 2008, Journal of Physical Chemistry B.

A far- and mid-infrared study of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under high pressure

Eunja Kim, Zhenxian Liu, P. Weck, 2010 .

One-dimensional uranium-organic coordination polymers: crystal and electronic structures of uranyl-diacetohydroxamate.

Eunja Kim, P. Thuéry, P. Weck, 2011, Dalton Transactions.

Thermodynamics of technetium: reconciling theory and experiment using density functional perturbation analysis.

Eunja Kim, P. Weck, 2015, Dalton transactions.

X‐ray Crystallographic and First‐Principles Theoretical Studies of K2[TcOCl5] and UV/Vis Investigation of the [TcOCl5]2– and [TcOCl4]– Ions

Eunja Kim, P. Weck, F. Poineau, 2013 .

Electrochemical studies of technetium–ruthenium alloys in HNO3: Implications for the behavior of technetium waste forms

Edward J. Mausolf, Eunja Kim, D. Kolman, 2017, Radiochemistry.

Reactivity of HTcO(4) with methanol in sulfuric acid: Tc-sulfate complexes revealed by XAFS spectroscopy and first principles calculations.

Eunja Kim, P. Weck, F. Poineau, 2013, Dalton transactions.

Synthesis and structure of technetium trichloride.

B. Scott, Eunja Kim, P. Weck, 2010, Journal of the American Chemical Society.

First evidence for the formation of technetium oxosulfide complexes: synthesis, structure and characterization.

Eunja Kim, P. Weck, Longzhou Ma, 2012, Dalton transactions.

Trivalent actinide and lanthanide complexation of 5,6-dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) derivatives: a combined experimental and first-principles study.

Eunja Kim, P. Weck, K. Czerwinski, 2013, Inorganic Chemistry.

First-principles study of anhydrite, polyhalite and carnallite

Eunja Kim, P. Weck, C. Jové-Colón, 2014 .

Energetics of Sn2+ isomorphic substitution into hydroxylapatite: first-principles predictions

Eunja Kim, P. Weck, 2016 .

Strain-controlled magnetic ordering in 2D carbon metamaterials

Dan Liu, Eunja Kim, P. Weck, 2020, 2001.06534.

Diperoxo Pertechnetic Acid Characterized by Spectroscopic and Quantum Chemical Studies

Eunja Kim, P. Weck, F. Poineau, 2013 .

Elucidating Structure–Spectral Property Relationships of Negative Thermal Expansion Zr2(WO4)(PO4)2: A First-Principles Study with Experimental Validation

C. Bryan, Eunja Kim, J. Greathouse, 2019, The Journal of Physical Chemistry C.

First-Principles Structural, Mechanical, and Thermodynamic Calculations of the Negative Thermal Expansion Compound Zr2(WO4)(PO4)2

C. Bryan, Eunja Kim, J. Greathouse, 2018, ACS omega.

Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory.

Eunja Kim, P. Weck, C. Jové-Colón, 2015, Dalton transactions.

Structural and electronic trends in rare-earth technetate pyrochlores.

Eunja Kim, E. Rodriguez, P. Weck, 2010, Dalton transactions.

Semiconducting layered technetium dichalcogenides: insights from first-principles.

Eunja Kim, P. Weck, K. Czerwinski, 2013, Dalton transactions.

Interplay between structure, stoichiometry and properties of technetium nitrides.

Eunja Kim, P. Weck, K. Czerwinski, 2011, Dalton transactions.

Radionuclide incorporation in negative thermal expansion α-Zr(WO4)2: A density functional theory study

C. Bryan, Eunja Kim, J. Greathouse, 2020 .

Molecular dynamics simulation of zirconium tungstate amorphization and the amorphous-crystalline interface

C. Bryan, Eunja Kim, J. Greathouse, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Layered uranium(VI) hydroxides: structural and thermodynamic properties of dehydrated schoepite α-UO₂(OH)₂.

Eunja Kim, P. Weck, 2014, Dalton transactions.

A comprehensive assessment of the low-temperature thermal properties and thermodynamic functions of CeO2.

D. Naugle, Eunja Kim, A. Nelson, 2019, The Journal of chemical physics.

Density Functional Analysis of Fluorite-Structured (Ce, Zr)O2/CeO2 Interfaces

Eunja Kim, P. Weck, R. Dingreville, 2017 .

Technetium incorporation in scheelite: insights from first-principles.

Eunja Kim, P. Weck, K. Czerwinski, 2016, Dalton Transactions.

Nanoconfinement effects on the reversibility of hydrogen storage in ammonia borane: a first-principles study.

D. Tománek, Eunja Kim, P. Weck, 2011, The Journal of chemical physics.

Solar Energy Storage in Phase Change Materials: First-Principles Thermodynamic Modeling of Magnesium Chloride Hydrates.

Eunja Kim, P. Weck, 2014 .

Nuclear Forward Scattering and first principles studies of Novel Iron-Oxide Phase Fe4O5.

Y. Meng, Eunja Kim, Yusheng Zhao, 2013 .

Structural evolution and properties of subnanometer Tc(n) (n = 2-15) clusters.

Eunja Kim, P. Weck, F. Poineau, 2009, Physical chemistry chemical physics : PCCP.

High-pressure studies of melamine

Eunja Kim, Yuming Xiao, P. Chow, 2010 .

Raman spectroscopic study of cyclopentane at high pressure.

Eunja Kim, P. Weck, S. Tkachev, 2009, The Journal of chemical physics.

High-pressure studies of 1,3,5,7-cyclooctatetraene: experiment and theory.

Eunja Kim, P. Weck, S. Tkachev, 2008, The journal of physical chemistry. A.

β-Technetium trichloride: formation, structure, and first-principles calculations.

Eunja Kim, P. Weck, F. Poineau, 2012, Inorganic chemistry.

Intracranial Cystic Metastasis Mimicking Neurocysticercosis in a Pregnant Woman

Eunja Kim, Yeong-Bae Lee, K. Park, 2014 .

Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory.

John A. Mitchell, V. Tikare, Eunja Kim, 2015, Dalton transactions.

First-principles study of single-crystal uranium mono- and dinitride

Kenneth R. Czerwinski, Eunja Kim, Philippe F. Weck, 2007 .

Identification of causative mutations in patients with Leigh syndrome and MERRF by mitochondrial DNA-targeted next-generation sequencing

Byung-Ok Choi, Eunja Kim, B. Suh, 2015 .

On the role of strong electron correlations in the surface properties and chemistry of uranium dioxide.

Eunja Kim, P. Weck, C. Jové-Colón, 2013, Dalton transactions.

Organic cyclic difluoramino-nitramines: infrared and Raman spectroscopy of 3,3,7,7-tetrakis(difluoramino)octahydro 1,5-dinitro-1,5-diazocine (HNFX)

Eunja Kim, P. Weck, Cedric L. Gobin, 2009 .

Structures of uranyl peroxide hydrates: a first-principles study of studtite and metastudtite.

Eunja Kim, P. Weck, C. Jové-Colón, 2012, Dalton transactions.

Thermodynamic properties of metaschoepite predicted from density functional perturbation theory

Eunja Kim, P. Weck, C. Jové-Colón, 2020 .

Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form.

Eunja Kim, Edward J. Mausolf, T. Johnson, 2015, The journal of physical chemistry. A.

Pressure‐Tuneable Visible‐Range Band Gap in the Ionic Spinel Tin Nitride

Jesse S. Smith, C. Pickard, Eunja Kim, 2018, Angewandte Chemie.

Surfactant-Mediated Si/Ge Epitaxial Crystal Growth

Eunja Kim, Young Hee Lee, C. Oh, 1996 .

Local bonding behavior and domain size relation for vacancy lines on Si(001)

Changfeng Chen, Eunja Kim, 2002 .

Distribution of Dimer Vacancy Lines on Si(001) surface and their local bonding behavior

Eunja Kim, Chen Chang-feng, 2002 .

ORDERING OF DIMER VACANCIES ON THE SI(100) SURFACE

Changfeng Chen, Eunja Kim, Young Hee Lee, 1999 .

Leisure Activity, Ethnic Preservation, and Cultural Integration of Older Korean Americans

N. Kropf, Eunja Kim, D. Kleiber, 2002, Social Work Practice with the Asian American Elderly.

Martensitic fcc-to-hcp transformations in solid xenon under pressure: a first-principles study.

Eunja Kim, M. Nicol, H. Cynn, 2006, Physical review letters.

First-principles study of phase stability of BN under pressure

Changfeng Chen, Eunja Kim, 2003 .

Pressure-driven phase transitions in NaBH4: theory and experiments.

L. Daemen, S. Vogel, Eunja Kim, 2007, The journal of physical chemistry. B.

Synthesis of a novel strontium-based wide-bandgap semiconductor via X-ray photochemistry under extreme conditions

G. Rossman, Eunja Kim, M. Pravica, 2018 .

Pressure-induced structural phase transition in NaAlH4

Eunja Kim, Ravhi S Kumar, O. Tschauner, 2007 .

Calculation of bulk modulus for highly anisotropic materials

Changfeng Chen, Eunja Kim, 2004 .

Stability of tetragonal crystalline carbon nitrides: the nitrogen content dependence

Changfeng Chen, Eunja Kim, 2001 .

Arterial Stiffness and Functional Outcome in Acute Ischemic Stroke

Eunja Kim, C. Kang, Yeong-Bae Lee, 2014, Journal of cerebrovascular and endovascular neurosurgery.

Waste Form Degradation Model Integration for Engineered Materials Performance.

P. C. Rieke, C. Steefel, P. Zapol, 2014 .

Zirconium chloride molecular species: combining electron impact mass spectrometry and first principles calculations

Eunja Kim, P. Weck, R. Alberto, 2019, SN Applied Sciences.

First-principles study of the hexahalogenotechnetate(IV) ions TcX62- [X = Cl, Br]

Eunja Kim, P. Weck, K. Czerwinski, 2010 .

Technetium(IV) halides predicted from first-principles.

Eunja Kim, E. Rodriguez, P. Weck, 2009, Inorganic chemistry.

Density functional analysis of the trigonal uranyl equatorial coordination in hexahomotrioxacalix[3]arene-based macrocyclic complexes.

Eunja Kim, P. Thuéry, P. Weck, 2010, Inorganic chemistry.

Hydrogen Fuel Cells and Storage Technology: Fundamental Research for Optimization of Hydrogen Storage and Utilization

Eunja Kim, C. Heske, D. Hatchett, 2011 .

Fluorine chemistry at extreme conditions: possible synthesis of $HgF_4$

Eunja Kim, B. Billinghurst, M. Pravica, 2019, Papers in Physics.

Dehydration of uranyl nitrate hexahydrate to the trihydrate under ambient conditions as observed via dynamic infrared reflectance spectroscopy

Timothy J. Johnson, Edgar C. Buck, Lucas E. Sweet, 2015, Defense + Security Symposium.

X‐Ray Crystallographic and First‐Principles Theoretical Studies of K2[TcOCl5] and UV/Vis Investigation of the [TcOCl5]2‐ and [TcOCl4]‐ Ions.

Eunja Kim, P. Weck, F. Poineau, 2013 .

Magic numbers in small iron clusters: A first-principles study

D. Tománek, Eunja Kim, P. Weck, 2014 .

Chemical bonding and aromaticity in trinuclear transition-metal halide clusters.

Eunja Kim, P. Weck, K. Czerwinski, 2011, Inorganic chemistry.

Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface.

Eunja Kim, P. Weck, N. Balakrishnan, 2008, Physical chemistry chemical physics : PCCP.

Hydrogenation of single-wall carbon nanotubes using polyamine reagents: combined experimental and theoretical study.

Eunja Kim, D. Tománek, Eunja Kim, 2008, Journal of the American Chemical Society.

Designing carbon nanoframeworks tailored for hydrogen storage

Hansong Cheng, B. Yakobson, Eunja Kim, 2007 .

Hydrogen storage in ammonia borane: {\em Ab initio} study of the de- and rehydrogenation mechanisms

Eunja Kim, P. Weck, Kiseok Chang, 2009 .

Dimer‐Induced Stabilization of H Adsorbate Cluster on BN(0001) Surface

Eunja Kim, P. Weck, N. Balakrishnan, 2009 .

First-principles study of the oxygen-reduction reaction on the Pt (100) surface

Eunja Kim, T. Pang, 2008 .

First-Principles Study of Carbon Nanoframeworks Tailored for Hydrogen Storage

Hansong Cheng, B. Yakobson, Eunja Kim, 2008 .

Nanoscale building blocks for the development of novel proton-exchange membranes fuel cells: A first-principles study

Eunja Kim, Chulsung Bae, P. Weck, 2008 .

Oxidation of Pt (100) surface: Ab initio studies

Eunja Kim, T. Pang, D. Stucke, 2007 .

Design of tailored carbon nanostructures for hydrogen storage

Hansong Cheng, Eunja Kim, P. Weck, 2007 .

Computational study of hydrogen storage in organometallic compounds.

Eunja Kim, T. J. Dhilip Kumar, P. Weck, 2007, The Journal of chemical physics.

Hydrogen Fuel Cells and Storage Technology Project ( FCAST ) *

Changfeng Chen, Eunja Kim, Chulsung Bae, 2007 .

Zirconium tetrachloride revisited.

Eunja Kim, P. Weck, F. Poineau, 2018, Acta crystallographica. Section C, Structural chemistry.

Structural studies of technetium-zirconium alloys by X-ray diffraction, high-resolution electron microscopy, and first-principles calculations.

Eunja Kim, T. Hartmann, P. Weck, 2010, Inorganic chemistry.

Speciation of technetium peroxo complexes in sulfuric acid revisited

Eunja Kim, P. Weck, F. Poineau, 2015, Journal of Radioanalytical and Nuclear Chemistry.

Electric Field Cancellation on Quartz by Rb Adsorbate-Induced Negative Electron Affinity.

J. Shaffer, Eunja Kim, S. T. Rittenhouse, 2015, Physical review letters.

Cubic phases of B C 2 N : A first-principles study

Eunja Kim, Yusheng Zhao, W. Utsumi, 2007 .

Theoretical study of a body-centered-tetragonal phase of carbon nitride

M. Elstner, T. Frauenheim, Changfeng Chen, 2001 .

High-pressure-assisted X-ray-induced damage as a new route for chemical and structural synthesis.

Eunja Kim, P. Weck, M. Pravica, 2018, Physical chemistry chemical physics : PCCP.

Electric-field noise from carbon-adatom diffusion on a Au(110) surface: First-principles calculations and experiments

D. P. Pappas, Eunja Kim, D. A. Hite, 2016, 1610.01079.

Phase separation of Si1-xGex alloys

Eunja Kim, Young Hee Lee, 1995 .

Transferable tight-binding model for hydrogen-silicon interactions

Eunja Kim, Young Hee Lee, J. M. Lee, 1994 .

Transferable Tight-Binding Approach Of Si-H Interactions

Eunja Kim, Young Hee Lee, S. Lee, 1997 .

Transferable tight-binding model for germanium

Changfeng Chen, Eunja Kim, J. Singh, 2005 .