Ab initio simulation of defects in energetic materials: Hydrostatic compression of cyclotrimethylene trinitramine von Kuklja, Maija M., Kunz, A. Barry

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Molecular orbital calculations on (MgO)n and (MgO)n+ clusters (n=1-13) von RECIO, J. M, RAVINDRA PANDEY, AYUELA, A, KUNZ, A. B

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An excitonic mechanism of detonation initiation in explosives von Kuklja, Maija M., Stefanovich, Eugene V., Kunz, A. Barry

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Electronic structure of molecular crystals containing edge dislocations von Kuklja, Maija M., Kunz, A. Barry

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Compression-induced effect on the electronic structure of cyclotrimethylene trinitramine containing an edge dislocation von Kuklja, Maija M., Kunz, A. Barry

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Simulation of Defects in Energetic Materials. 3. The Structure and Properties of RDX Crystals with Vacancy Complexes von Kuklja, Maija M, Kunz, A. Barry

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Band structure and electronic properties of lithium azide (LiN3) von Seel, Max, Barry Kunz, A.

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Initiation of chemistry in molecular solids by processes involving electronic excited states von Barry Kunz, A., Kuklja, Maija M., Botcher, T.R., Russell, T.P.

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Study of the electronic structure of twelve alkali halide crystals von Kunz, A. Barry

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Chemisorption and the electronic structure of transition metal oxides and transition metals bonded to oxide surfaces von Kunz, A. Barry

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An ab initio investigation of the electronic structure of lithium azide (LiN3), sodium azide (NaN3), and lead azide [Pb(N3)2] von Younk, Edward H., Kunz, A. Barry

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Initiation of chemistry in molecular solids by processes involving electronic excited states: Energetic materials von KUNZ, A. Barry, KUKLJA, Maija M, BOTCHER, T. R, RUSSELL, T. P

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Theoretical Study of Linear NiCO and CuCO and its Implication to Adsorption von Itoh, Hiroyuki, Kunz, A. Barry

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Simulation of the Vk center in LiF using Hartree-Fock clusters von PANDEY, R, BARRY KUNZ, A

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Core excitation spectra of CH4 and SiH4 von Deutsch, P. W., Kunz, A. Barry

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Application of the Orthogonalized-Plane-Wave Method to Lithium Chloride, Sodium Chloride, and Potassium Chloride von Kunz, A. Barry

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Ab initio investigation of the structure and electronic properties of the energetic solids TATB and RDX von Kunz, AB

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Electronic Band Structure in the Sodium Iodide Crystal von Kunz, A. Barry

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Calculation of the Spin-Orbit Parameters for the Valence Bands of the fcc Alkali Chlorides, Alkali Bromides, and Alkali Iodides von Kunz, A. Barry

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Quantum-mechanical cluster-lattice interaction in crystal simulation: Hartree-Fock method von KUNZ, A. B, VAIL, J. M

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