| Investigation of the structural and acidic properties of bulk offretite using first principles molecular dynamics | Thermodynamic modeling and materials data engineering |  | | 1998 | 74 | 0 |
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| Structural and electronic properties of small copper clusters: a first principles study | Chemical Physics Letters | | | 1995 | 402 | 0 |
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| Si 2p Core-Level Shifts at the Si(001)-SiO2 Interface: a First-Principles Study | Physical Review Letters |  | | 1995 | 341 | 799 |
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| Model of vitreous SiO2 generated by an ab initio molecular-dynamics quench from the melt | Physical Review. B, Condensed Matter | | | 1995 | 391 | 0 |
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| Acceptor energy levels in GaAs/AlGaAs quantum wells in the presence of an external magnetic field | 22nd International Conference on the Physics of Semiconductors, vol. 3 | | | 1995 | 359 | 244 |
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| Structural and Electronic Properties of Liquid and Amorphous SiO2: An Ab Initio Molecular Dynamics Study | Physical Review Letters | | | 1995 | 433 | 0 |
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| First-Principles Study of Microscopic Models of the Si(001)-SiO2 interface | 22nd International Conference on the Physics of Semiconductors, vol. 1 | | | 1995 | 276 | 0 |
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| First principles molecular dynamics calculation of the structure and acidity of a bulk zeolite | Chemical physics letters | | | 1994 | 656 | 0 |
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| Ab Initio Molecular Dynamics for d-Electron Systems: Liquid Copper at 1500 K | Physical Review Letters | | | 1992 | 383 | 490 |
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