Dative and electron-sharing bonding in transition metal compounds

von Jerabek, Paul
Veröffentlicht in: Journal of computational chemistry (2019)

From small fullerenes to the graphene limit A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C...

von Wirz, Lukas N
Veröffentlicht in: Journal of computational chemistry (2016)

A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory

von Sure, Rebecca
Veröffentlicht in: Journal of computational chemistry (2015)

Program fullerene a software package for constructing and analyzing structures of regular fullerenes

von Schwerdtfeger, Peter
Veröffentlicht in: Journal of computational chemistry (2013)

The performance of density functional and wavefunction-based methods for 2D and 3D structures of Au10

von Götz, Daniel A
Veröffentlicht in: Journal of computational chemistry (2013)

The stability of small helical gold nanorods a relativistic density functional study

von Liu, Xiao-Jing
Veröffentlicht in: Journal of computational chemistry (2012)

Electronic properties for small tin clusters Sn(n) (n < or = 20) from density functional theory and the convergence toward the solid state

von Assadollahzadeh, Behnam
Veröffentlicht in: Journal of computational chemistry (2010)