Pregled bibliografske jedinice broj: 221719
Kvantni opis gibanja široke amplitude
Kvantni opis gibanja široke amplitude // 1st South Eastern European Workshop on Practical Approaches to Computational Biology / Tomić, , S. (ur.).
Zagreb, 2005. (poster, nije recenziran, sažetak, ostalo)
CROSBI ID: 221719 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Kvantni opis gibanja široke amplitude
(Quantum Treatment of Large Amplitude Motion)
Autori
Matanović, Ivana ; Došlić, Nađa ; Kühn, Oliver
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, ostalo
Izvornik
1st South Eastern European Workshop on Practical Approaches to Computational Biology
/ Tomić, , S. - Zagreb, 2005
Skup
1st South Eastern European Workshop on Practical Approaches to Computational Biology
Mjesto i datum
Zagreb, Hrvatska; Opatija, Hrvatska, 01.09.2005. - 04.09.2005
Vrsta sudjelovanja
Poster
Vrsta recenzije
Nije recenziran
Ključne riječi
acetilacton; dimer mravlje kiseline; interne koordinate; metoda hamiltoniana reakcijske plohe
(acetylacetone; formic acid dimer; an internal coordinates Hamiltonian; Reaction Surface Hamiltonian method)
Sažetak
Here we present recently developed quantum methods capable of describing large amplitude internal motion quantitatively: (a) An Internal Coordinates Hamiltonian (b) Reaction Surface Hamiltonian Specifically, we focus on hydrogen transfer reactions in the hydrogen bonded prototype systems: acetylaceton and formic acid dimer.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
