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Polyhedron, ISSN 0277-5387, 04/2012, Volume 36, Issue 1, pp. 69 - 72
We found that the positive spin density at the (COT) protons is due to the direct delocalization of the unpaired electron spin on the 1s hydrogen orbitals of... 
g Tensor | Spin–orbit | EPR | ZORA | Spin-orbit | SANDWICH COMPLEXES | GROUND-STATE | APPROXIMATION | COMPOUND | CRYSTALLOGRAPHY | INCLUDING ATOMIC ORBITALS | METALLOCENES | CHEMISTRY, INORGANIC & NUCLEAR | SPECTROSCOPY | RESONANCE | DENSITY-FUNCTIONAL THEORY | URANOCENE | Hydrogen | Analysis
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2017, Volume 683, pp. 421 - 424
An angular structure for three intermetallic gold-lanthanide molecules of the form [Au Ln] Ln = Eu, Yb, Lu is predicted using DFT theoretical tools. The... 
CHEMISTRY, PHYSICAL | ATOMIZATION ENERGIES | CLUSTERS | GENERALIZED GRADIENT APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Rare earth metals | Intermetallic compounds | Bonds | Analysis
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 07/2012, Volume 116, Issue 28, pp. 7584 - 7592
This work presents a relativistic calculation of electron delocalization, optical properties, and zero field splitting in a group of molecules with the... 
Journal Article
2007, 1. ed., 0Colecci´on Regiones de M´exico, ISBN 9789680302, 157
Book
European Journal of Inorganic Chemistry, ISSN 1434-1948, 07/2018, Volume 2018, Issue 28, pp. 3282 - 3282
The Cover Feature shows the magnetic response of the Re 3 Br 9 dianion cluster when subjected to an external magnetic field. The induced current density is... 
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 07/2018, Volume 2018, Issue 28, pp. 3312 - 3319
We present new evidence that supports the aromatic character of the clusters of formula: [M 3 (µ‐X) 3 X 6 ] 0/2– (M = Re and Tc, X = Cl, Br, I). Our... 
Ring current density | Aromaticity | Metal clusters | Induced magnetic field | Magnetic properties | Organic chemistry | Clusters | Chemical bonds | Magnetism | Ring currents | Magnetic fields
Journal Article
Polyhedron, ISSN 0277-5387, 2009, Volume 28, Issue 8, pp. 1561 - 1567
Homobimetallic systems linked by pentalenediide ligand, of the type / -[C H {M(CO )} ] (M = Mn, Tc, Re, Bh): with transitions metals of the group VII, were... 
Group VII | Pentalene | Relativistic DFT | Mixed valence | SYSTEM | ENERGY | CORRECT ASYMPTOTIC-BEHAVIOR | APPROXIMATION | IMPLEMENTATION | COORDINATION | CRYSTALLOGRAPHY | CHEMISTRY, INORGANIC & NUCLEAR | 2ND DERIVATIVES | CHEMISTRY | THROUGH-BOND ORDER | VALENCE
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 03/2018, Volume 122, Issue 8, pp. 4723 - 4730
Characterization of the tetrahedral Au-20 structure in the gas phase remains a major landmark in gold cluster chemistry, where further efforts to stabilize... 
CORE | CARBONYL CLUSTER | SELF-ASSEMBLED MONOLAYERS | APPROXIMATION | GOLD NANOCLUSTERS | STABILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | THIOLATE-PROTECTED AU-25 | COMPLEXES | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ADSORPTION | AU19PD CLUSTERS | Chemical Sciences
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 07/2012, Volume 116, Issue 28, pp. 7584 - 7592
This work presents a relativistic calculation of electron delocalization, optical properties, and zero field splitting in a group of molecules with the... 
COORDINATION-COMPOUNDS | BENZENE COMPLEXES | BRIDGING LIGANDS | TRANSITION-METAL-COMPLEXES | ELECTRON-PARAMAGNETIC-RESONANCE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LANTHANIDE COMPLEXES | CHEMISTRY, PHYSICAL | CRYSTAL-STRUCTURES | DENSITY-FUNCTIONAL THEORY | EXCHANGE
Journal Article
The European Physical Journal C: Particles and Fields, ISSN 1434-6052, 2017, Volume 77, Issue 5, pp. 1 - 53
During 2015 the ATLAS experiment recorded $$3.8\,{\mathrm{fb}}^{-1}$$ 3.8 fb - 1 of proton–proton collision data at a centre-of-mass energy of... 
PHYSICS, PARTICLES & FIELDS | Collisions (Nuclear physics) | Protons | Data acquisition systems | Physics - High Energy Physics - Experiment | High Energy Physics - Phenomenology | Physics | PARTICLE ACCELERATORS | Regular - Experimental Physics | Fysik | Physical Sciences | Naturvetenskap | Natural Sciences
Journal Article
Journal Article
by Aaboud, M and Aad, G and Abbott, B and Abdinov, O and Abeloos, B and Abidi, S H and AbouZeid, O S and Abraham, N L and Abramowicz, H and Abreu, H and Abreu, R and Abulaiti, Y and Acharya, B S and Adachi, S and Adamczyk, L and Adelman, J and Adersberger, M and Adye, T and Affolder, A A and Afik, Y and Agatonovic-Jovin, T and Agheorghiesei, C and Aguilar-Saavedra, J A and Ahlen, S P and Ahmadov, F and Aielli, G and Akatsuka, S and Akerstedt, H and Åkesson, T P. A and Akilli, E and Akimov, A V and Alberghi, G L and Albert, J and Albicocco, P and Alconada Verzini, M J and Alderweireldt, S C and Aleksa, M and Aleksandrov, I N and Alexa, C and Alexander, G and Alexopoulos, T and Alhroob, M and Ali, B and Aliev, M and Alimonti, G and Alison, J and Alkire, S P and Allbrooke, B M. M and Allen, B W and Allport, P P and Aloisio, A and Alonso, A and Alonso, F and Alpigiani, C and Alshehri, A A and Alstaty, M I and Alvarez Gonzalez, B and Álvarez Piqueras, D and Alviggi, M G and Amadio, B T and Amaral Coutinho, Y and Amelung, C and Amidei, D and Amor Dos Santos, S P and Amoroso, S and Amundsen, G and Anastopoulos, C and Ancu, L S and Andari, N and Andeen, T and Anders, C F and Anders, J K and Anderson, K J and Andreazza, A and Andrei, V and Angelidakis, S and Angelozzi, I and Angerami, A and Anisenkov, A V and Anjos, N and Annovi, A and Antel, C and Antonelli, M and Antonov, A and Antrim, D J and Anulli, F and Aoki, M and Aperio Bella, L and Arabidze, G and Arai, Y and Araque, J P and Araujo Ferraz, V and Arce, A T. H and Ardell, R E and Arduh, F A and Arguin, J-F and Argyropoulos, S and Arik, M and Armbruster, A J and Armitage, L J and ... and ATLAS Collaboration and The ATLAS collaboration and SLAC National Accelerator Lab., Menlo Park, CA (United States) and Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States) and Partikel- och astropartikelfysik and Skolan för teknikvetenskap (SCI) and KTH and Fysik
Journal of High Energy Physics, ISSN 1126-6708, 1/2018, Volume 2018, Issue 1, pp. 1 - 53
Journal Article
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, ISSN 1089-5639, 07/2012, Volume 116, Issue 28, pp. 7584 - 7592-7584-7592
This work presents a relativistic calculation of electron delocalization, optical properties, and zero field splitting in a group of molecules with the... 
Electronic structure | Zirconium | Transition metals | Splitting | Optical properties | Titanium | Electronics | Mathematical models
Journal Article