| 1 |
Crystal and Electronic Structures of A(2)NaIO(6) Periodate Double Perovskites (A = Sr, Ca, Ba): Candidate Wasteforms for I-129 Immobilization
O'Sullivan SE, Montoya E, Sun SK, George J, Kirk C, Wilkins MCD, Weck PF, Kim E, Knight KS, Hyatt NC
Inorganic Chemistry, 59(24), 18407, 2020 |
| 2 |
Lattice dynamics and thermomechanical properties of zirconium(IV) chloride: Evidence for low-temperature negative thermal expansion
Kim E, Weck PF, Borjas R, Poineau F
Chemical Physics Letters, 691, 98, 2018 |
| 3 |
Assessing exchange-correlation functionals for elasticity and thermodynamics of alpha-ZrW2O8: A density functional perturbation theory study
Weck PF, Kim E, Greathouse JA, Gordon ME, Bryan CR
Chemical Physics Letters, 698, 195, 2018 |
| 4 |
Phosphorus Dimerization in Gallium Phosphide at High Pressure
Lavina B, Kim E, Cynn H, Weck PF, Seaborg K, Siska E, Meng Y, Evans W
Inorganic Chemistry, 57(5), 2432, 2018 |
| 5 |
van der Waals forces and confinement in carbon nanopores: Interaction between CH4, COOH, NH3, OH, SH and single-walled carbon nanotubes
Weck PF, Kim E, Wang YF
Chemical Physics Letters, 652, 22, 2016 |
| 6 |
Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form
Johnson TJ, Sweet LE, Meier DE, Mausolf EJ, Kim E, Weck PF, Buck EC, McNamara BK
Journal of Physical Chemistry A, 119(39), 9996, 2015 |
| 7 |
First-principles study of anhydrite, polyhalite and carnallite
Weck PF, Kim E, Jove-Colon CF, Sassani DC
Chemical Physics Letters, 594, 1, 2014 |
| 8 |
Magic numbers in small iron clusters: A first-principles study
Kim E, Mohrland A, Weck PF, Pang T, Czerwinski KR, Tomanek D
Chemical Physics Letters, 613, 59, 2014 |
| 9 |
First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces
Kim E, Weck PF, Taylor CD, Olatunji-Ojo O, Liu XY, Mausolf E, Jarvinen GD, Czerwinski KR
Journal of the Electrochemical Society, 161(3), C83, 2014 |
| 10 |
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
Bhattacharyya A, Kim E, Weck PF, Forster PM, Czerwinski KR
Inorganic Chemistry, 52(2), 761, 2013 |
