| 1 |
An excitonic mechanism of detonation initiation in explosives
Kuklja MM, Stefanovich EV, Kunz AB
Journal of Chemical Physics, 112(7), 3417, 2000 |
| 2 |
Dissociation of water at the MgO(100)-water interface: Comparison of theory with experiment
Johnson MA, Stefanovich EV, Truong TN, Gunster J, Goodman DW
Journal of Physical Chemistry B, 103(17), 3391, 1999 |
| 3 |
Molecular modeling of interactions in zeolites: An ab initio embedded cluster study of NH3 adsorption in chabazite
Vollmer JM, Stefanovich EV, Truong TN
Journal of Physical Chemistry B, 103(44), 9415, 1999 |
| 4 |
A simple method for incorporating Madelung field effects into ab initio embedded cluster calculations of crystals and macromolecules
Stefanovich EV, Truong TN
Journal of Physical Chemistry B, 102(16), 3018, 1998 |
| 5 |
Ab initio study of the stabilization of multiply charged anions in water
Stefanovich EV, Boldyrev AI, Truong TN, Simons J
Journal of Physical Chemistry B, 102(21), 4205, 1998 |
| 6 |
Theoretical studies of solid-liquid interfaces : Molecular interactions at the MgO(001)-water interface
Johnson MA, Stefanovich EV, Truong TN
Journal of Physical Chemistry B, 102(33), 6391, 1998 |
| 7 |
Theoretical Approach for Modeling Reactivity at Solid-Liquid Interfaces
Stefanovich EV, Truong TN
Journal of Chemical Physics, 106(18), 7700, 1997 |
| 8 |
A General Methodology for Quantum Modeling of Free-Energy Profile of Reactions in Solution - An Application to the Menshutkin Nh3+ch3Cl Reaction in Water
Truong TN, Truong TT, Stefanovich EV
Journal of Chemical Physics, 107(6), 1881, 1997 |
| 9 |
An Ab-Initio Study on the Oxidative Coupling of Methane over a Lithium-Doped MgO Catalyst - Surface-Defects and Mechanism
Johnson MA, Stefanovich EV, Truong TN
Journal of Physical Chemistry B, 101(16), 3196, 1997 |
| 10 |
Embedded Density-Functional Approach for Calculations of Adsorption on Ionic-Crystals
Stefanovich EV, Truong TN
Journal of Chemical Physics, 104(8), 2946, 1996 |
