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                             11 results found
no title author magazine year volume issue page(s) type
1 AgmRhn clusters with m+n≤55 Louis, Nicolas

140 4 article
2 Benchmarking density functional theory methods for modelling cationic metal–argon complexes Delgado-Callico, Laia

140 4 article
3 Exploring the effects of quantum decoherence on the excited-state dynamics of molecular systems Heller, Eric R.

140 4 article
4 Extracting vibrational anharmonicities from short driven molecular dynamics trajectories Parneix, Pascal

140 4 article
5 Global optimization of ~ 1 nm MoS2 and CaCO3 nanoparticles Hostaš, Jiří

140 4 article
6 Ground-to-excited derivative couplings for the density functional-based tight-binding method: semi-local and long-range corrected formulations Niehaus, Thomas A.

140 4 article
7 Interaction of hydrogen with palladium–copper nanoalloys Gómez Herranz, Alfonso

140 4 article
8 Theoretical perspective on the interaction of CO2 and H2O molecules with functionalized magnesium and scandium phthalocyanines Arokiyanathan, Agnes Lincy

140 4 article
9 The structure of 1,3-butadiene clusters Douady, J.

140 4 article
10 Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions Arockiaraj, Micheal

140 4 article
11 Variational properties of auxiliary density functionals Mejía-Rodríguez, Daniel

140 4 article
                             11 results found
 
 Koninklijke Bibliotheek - National Library of the Netherlands