Planar vs. three-dimensional X62−, X2Y42−, and X3Y32− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach

Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)

(2016) Ouissam El Bakouri et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study

(2015) Matias R. Fagiani et al.   CHEMICAL PHYSICS LETTERS

Quantifying aromaticity with electron delocalisation measures

(2015) Ferran Feixas et al.   CHEMICAL SOCIETY REVIEWS

The Electronic Structure of the Al3−Anion: Is it Aromatic?

(2015) Jose M. Mercero et al.   CHEMISTRY-A EUROPEAN JOURNAL

Analysis of the Aromaticity of Five-Membered Heterometallacycles Containing Os, Ru, Rh, and Ir

(2014) Rafael Islas et al.   ORGANOMETALLICS

The same in the bulk but different as clusters: X3Y3 (X=B, Al, Ga; Y=P, As)

(2013) Anastassia N. Alexandrova et al.   CHEMICAL PHYSICS LETTERS

A cartography of the van der Waals territories

(2013) Santiago Alvarez   DALTON TRANSACTIONS

Comparison between Alkalimetal and Group 11 Transition Metal Halide and Hydride Tetramers: Molecular Structure and Bonding

(2013) Majid El-Hamdi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Planar to 3D Transition in the B6Hy Anions

(2013) J. K. Olson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Unraveling the Origin of the Relative Stabilities of Group 14 M2N22+ (M, N = C, Si, Ge, Sn, and Pb) Isomer Clusters

(2013) Erik Díaz-Cervantes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Analysis of the Relative Stabilities of Ortho, Meta, and Para MClY(XC4H4)(PH3)2 Heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO)

(2013) Majid El-Hamdi et al.   ORGANOMETALLICS

Tug of war between AO-hybridization and aromaticity in dictating structures of Li-doped alkali clusters

(2012) Anastassia N. Alexandrova   CHEMICAL PHYSICS LETTERS

From an Icosahedron to a Plane: Flattening Dodecaiodo-dodecaborate by Successive Stripping of Iodine

(2012) Pau Farràs et al.   CHEMISTRY-A EUROPEAN JOURNAL

Selected AB42−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn42−/−

(2012) Anastassia N. Alexandrova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular structures of M2N22− (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm

(2012) Rafael Islas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

An Analysis of the Isomerization Energies of 1,2-/1,3-Diazacyclobutadiene, Pyrazole/Imidazole, and Pyridazine/Pyrimidine with the Turn-Upside-Down Approach

(2011) Majid El-Hamdi et al.   JOURNAL OF ORGANIC CHEMISTRY

Persistent Covalency and Planarity in the BnAl6–n2– and LiBnAl6–n– (n = 0–6) Cluster Ions

(2011) Mioy T. Huynh et al.   Journal of Physical Chemistry Letters

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Sandwich-like compounds based on bare all-boron cluster B62−

(2008) Li-ming Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS