Sökning: "Jesper Wisborg Krogh"

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1. 1. Development and Implementation of Methods in Theoretical Chemistry

   Författare :Jesper Wisborg Krogh; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; UO2; Electrostatic potential; Photo dissociation; Nuclear Quadrupole Moment; Relativity; RASSCF; LoProp; Method development; Parallelization; Sn; Bromoiodomethane; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

   Sammanfattning : The method development research in the field of theoretical chemistry is the never ending quest for methods that are faster, gives more accurate results, and expands the possibilities. The work in this thesis is no exception to that statement. LÄS MER