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Ab initio modeling: Mechanical and Thermo - Elastic properties

Ab initio modeling: Mechanical and Thermo - Elastic propertiesaf Ungureanu Crina Georgeta
Bag om Ab initio modeling: Mechanical and Thermo - Elastic properties

Dr. Ungureanu research activity has involved the study and application of quantum mechanical ab initio calculation techniques. Has extensive experience in the use of the CRYSTAL package, a code developed by the Theoretical Chemistry Group of the University of Torino, together with the Computational Materials Science Group of the Daresbury Laboratory. As a Ph.D. student, She acquire knowledge in the structure of the CRYSTAL code and use it in the Study of different crystalline phases. In this work is presented the ab initio study of Calcium Carbonate Polymorphs.

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  • Sprog:
  • Engelsk
  • ISBN:
  • 9783639770254
  • Indbinding:
  • Paperback
  • Sideantal:
  • 160
  • Udgivet:
  • 9. januar 2019
  • Størrelse:
  • 150x10x220 mm.
  • Vægt:
  • 256 g.
  • 2-3 uger.
  • 25. november 2024
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Dr. Ungureanu research activity has involved the study and application of quantum mechanical ab initio calculation techniques. Has extensive experience in the use of the CRYSTAL package, a code developed by the Theoretical Chemistry Group of the University of Torino, together with the Computational Materials Science Group of the Daresbury Laboratory. As a Ph.D. student, She acquire knowledge in the structure of the CRYSTAL code and use it in the Study of different crystalline phases. In this work is presented the ab initio study of Calcium Carbonate Polymorphs.

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