11 Results for (keywords_en:AB INITIO METHOD)

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1. Berechnung der Wechselwirkungsenergien von Modelliganden mit Alkali- und Ammoniumionen mit Hilfe von ab initio und Paarpotential-Methoden

Portmann, Pius (1986)


Doctoral and Habilitation Theses

2. Implementation and application of a new approach for extending time scales in ab-initio molecular dynamics simulations

Aktah, Daniel (2003)


Doctoral and Habilitation Theses

3. Ab initio study of neutral and cationic double bond systems containing group 15 elements

Widauer, Christoph (2000)


Doctoral and Habilitation Theses

4. Beitrag zur computerunterstützten Beschreibung der Wechselwirkung von Alkali- und Erdalkaliionen mit organischen Liganden

Dörner, Wolfgang Marc (1989)


Doctoral and Habilitation Theses

5. Non-adiabatic ab initio molecular dynamics and the electronically excited states of small hydrocarbon radicals

Hostettler, Jonas M. (2009)


Doctoral and Habilitation Theses

6. Studies of the structure and reactivity of transition metal compounds through ab initio and hybrid QM/MM molecular dynamics simulations

Magistrato, Alessandra (2001)


Doctoral and Habilitation Theses

7. Transition-metal-catalysed hydroamination of alkenes

Senn, Hans Martin (2001)


Doctoral and Habilitation Theses

8. Photodissociation and excited states dynamics of the allyl radical

Castiglioni, Luca (2007)


Doctoral and Habilitation Theses

9. Untersuchungen an Amiden und Acyliminium-Ionen

Lamatsch, Bernd Michael (1993)


Doctoral and Habilitation Theses

10. Infrarotspektroskopie und Quantendynamik der Stereomutation von Anilin und H2O2 und ihren Isotopomeren

Fehrensen, Friedrich Benjamin (1999)


Doctoral and Habilitation Theses

11. Spectroscopy and photodissociation dynamics of allylic radicals

Gasser, Michael (2010)


Doctoral and Habilitation Theses