Sökning: "the ammonia dimer interaction energy"

Hittade 1 avhandling innehållade orden the ammonia dimer interaction energy.

  1. 1. Studies of molecular systems with multiconfigurational methods

    Författare :Jonna Stålring; Teoretisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; excited state geometry optimizations; multiconfigurational methods; two-photon transition intensities; the C3H2 isomers; quantum chemistry; spectroscopy; Teoretisk kemi; Theoretical chemistry; kvantkemi; the ammonia dimer interaction energy;

    Sammanfattning : Research in theoretical chemistry is aimed at finding computational algorithms that produce as accurate results as possible, for as large molecules as possible, with a minimum of computational effort and to apply these methods to molecular systems of chemical interest. The most accurate theoretical methods, often referred to as ab initio methods, are derived from the fundamental laws of physics and they do not rely on any empirical information. LÄS MER