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Now showing items 25-40 of 40

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All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not?

2011 Article

Poater i Teixidor, Jordi Feixas Geronès, Ferran Bickelhaupt, F. Matthias Solà i Puig, Miquel

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

2016-03-11 Article

Poater i Teixidor, Jordi Solà i Puig, Miquel El Bakouri, Ouissam

Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting

2016-06-05 Article

El Hamdi Lahfid, Majid Solà i Puig, Miquel Poater i Teixidor, Jordi Timoshkin, A.

Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues

2016-12-15 Article

Vásques-Espinal, A Poater i Teixidor, Jordi Solà i Puig, Miquel Tiznado, William et al.

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

2012 Article

Islas, Rafael Poater i Teixidor, Jordi Matito i Gras, Eduard Solà i Puig, Miquel

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

2013 Article

Díaz-Cervantes, Erik Poater i Teixidor, Jordi Robles, Juvencio Swart, Marcel et al.

Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding

2013-08-22 Article

El Hamdi Lahfid, Majid Solà i Puig, Miquel Frenking, Gernot Poater i Teixidor, Jordi

An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach

2011-11-04 Article

El Hamdi Lahfid, Majid Tiznado, William Poater i Teixidor, Jordi Solà i Puig, Miquel

Aromaticity determines the relative stability of kinked vs. straight topologies in polycyclic aromatic hydrocarbons

2018-11-20 Article

Poater i Teixidor, Jordi Duran i Portas, Miquel Solà i Puig, Miquel

Analysis of the aromaticity of five-membered heterometallacycles containing Os, Ru, Rh, and Ir

2014 Article

Islas, Rafael Poater i Teixidor, Jordi Solà i Puig, Miquel

π [pi] Aromaticity and Three-Dimensional Aromaticity: Two sides of the Same Coin?

2014 Article

Poater i Teixidor, Jordi Solà i Puig, Miquel Viñas, Clara Teixidor Bombardó, Francesc

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

2016 Article

El Bakouri, Ouissam Duran i Portas, Miquel Poater i Teixidor, Jordi Feixas Geronès, Ferran et al.

B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation

2014-07-14 Article

Poater i Teixidor, Jordi Swart, Marcel Bickelhaupt, F. Matthias Fonseca Guerra, Célia

Hückel's Rule of Aromaticity Categorizes Aromatic Closo Boron Hydride Clusters

2016-05-23 Article

Poater i Teixidor, Jordi Solà i Puig, Miquel Viñas, Clara Teixidor Bombardó, Francesc

Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to Para-Delocalization Indexes (PDI)

2006-09-21 Article

Güell Serra, Mireia Matito i Gras, Eduard Luis Luis, Josep Maria Poater i Teixidor, Jordi et al.

Open-Shell Jellium Aromaticity in Metal Clusters

2019-04-11 Article

Poater i Teixidor, Jordi Solà i Puig, Miquel