2013

Scientific Articles

unige:26498

Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(ii) complexes

Vargas, Alfredo; Krivokapic, Itana; Hauser, Andreas; Lawson Daku, Latevi Max;

2009

Scientific Articles

unige:3559	Influence of Guest−Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2'-bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex	Vargas, Alfredo; Hauser, Andreas; Lawson Daku, Latevi Max;
unige:3181	What governs nitrogen configuration in substituted aminophosphines?	Wodrich, Matthew D.; Vargas, Alfredo; Morgantini, Pierre-Yves; Merino, Gabriel; Corminboeuf, Anne-Clémence

Doctoral Thesis

unige:3964

Characterization of spin-crossover and related transition metal complexes within density functional theory

Vargas, Alfredo;

2007

Scientific Articles

unige:3202

Spin-crossover in cobalt(II) imine complexes

Krivokapic, Itana; Zerara, Mohamed; Lawson Daku, Latevi Max; Vargas, Alfredo; ... Hauser, Andreas

2006

Scientific Articles

unige:3638	Density-functional theory investigation of the geometric, energetic and optical properties of the cobalt(II)tris(2,2'-bipyridine) complex in the high-spin and in the Jahn-Teller active low-spin state	Vargas, Alfredo; Zerara, Mohamed; Krausz, Elmars; Hauser, Andreas; Lawson Daku, Latevi Max
unige:3304	Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule	Hauser, Andreas; Enachescu, Cristian; Lawson Daku, Latevi Max; Vargas, Alfredo; Amstutz, Nahid

2005

Scientific Articles

unige:3621

Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex

Lawson Daku, Latevi Max; Vargas, Alfredo; Hauser, Andreas; Fouqueau, Antony; Casida, Mark Earl

1997

Scientific Articles

unige:2964

Effect of single point mutations of the human tachykinin NK1 receptor on antagonist affinity

Lundstrom, Kenneth; Hawcock, Anthony B.; Vargas, Alfredo; Ward, Peter; ... Naylor, Alan

1995

Scientific Articles

unige:2992

Functional Activity of a Biotinylated Human Neurokinin 1 Receptor Fusion Expressed in the Semliki Forest Virus System

Lundstrom, Kenneth; Vargas, Alfredo; Allet, Bernard;