Reactivity of Group 13 Elements Tl and Element 113, Nh, and of Their Hydroxides with Respect to Various Quartz Surfaces from Periodic Relativistic DFT Calculations

Reactivity of the Superheavy Element 115, Mc, and Its Lighter Homologue, Bi, with Respect to Gold and Hydroxylated Quartz Surfaces from Periodic Relativistic DFT Calculations: A Comparison with Element 113, Nh

(2021) Valeria Pershina et al.   INORGANIC CHEMISTRY

First Study on Nihonium (Nh, Element 113) Chemistry at TASCA

(2021) A. Yakushev et al.   Frontiers in Chemistry

Properties and Reactivity of Hydroxides of Group 13 Elements In, Tl, and Nh from Molecular and Periodic DFT Calculations

(2019) Valeria Pershina et al.   INORGANIC CHEMISTRY

Relativity in the electronic structure of the heaviest elements and its influence on periodicities in properties

(2019) Valeria Pershina   RADIOCHIMICA ACTA

Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data

(2018) V. Pershina et al.   CHEMICAL PHYSICS LETTERS

Reactivity of Superheavy Elements Cn, Nh, and Fl and Their Lighter Homologues Hg, Tl, and Pb, Respectively, with a Gold Surface from Periodic DFT Calculations

(2018) Valeria Pershina   INORGANIC CHEMISTRY

On the volatility of nihonium (Nh, Z = 113)

(2017) Nikolay V. Aksenov et al.   EUROPEAN PHYSICAL JOURNAL A

Extension of the Universal Force Field for Metal–Organic Frameworks

(2016) Damien E. Coupry et al.   Journal of Chemical Theory and Computation

A Theoretical Study on the Adsorption Behavior of Element 113 and Its Homologue Tl on a Quartz Surface: Relativistic Periodic DFT Calculations

(2016) Valeria Pershina   Journal of Physical Chemistry C

Vacuum Chromatography of Tl on SiO2 at the Single-Atom Level

(2016) Patrick Steinegger et al.   Journal of Physical Chemistry C

A relativistic periodic DFT study on interaction of superheavy elements 112 (Cn) and 114 (Fl) and their homologs Hg and Pb, respectively, with a quartz surface

(2016) V. Pershina   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic structure and properties of superheavy elements

(2015) V. Pershina   NUCLEAR PHYSICS A

Chemical studies of elements with Z ⩾ 104 in gas phase

(2015) Andreas Türler et al.   NUCLEAR PHYSICS A

Superheavy Element Flerovium (Element 114) Is a Volatile Metal

(2014) Alexander Yakushev et al.   INORGANIC CHEMISTRY

Pioneering experiments on the chemical properties of element 113

(2014) Sergey N. Dmitriev et al.   MENDELEEV COMMUNICATIONS

Advances in the Production and Chemistry of the Heaviest Elements

(2013) Andreas Türler et al.   CHEMICAL REVIEWS

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

(2013) Albert Rimola et al.   CHEMICAL REVIEWS

Estimating the adsorption energy of element 113 on a gold surface

(2013) Alexander Rusakov et al.   Open Physics

Theoretical modelling of the adsorption of thallium and element 113 atoms on gold using two-component density functional methods with effective core potentials

(2011) Brigitte S. Fox-Beyer et al.   CHEMICAL PHYSICS

Effect of the damping function in dispersion corrected density functional theory

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

Theoretical predictions of trends in spectroscopic properties of homonuclear dimers and volatility of the 7p elements

(2010) V. Pershina et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical predictions of trends in spectroscopic properties of gold containing dimers of the 6p and 7p elements and their adsorption on gold

(2010) V. Pershina et al.   JOURNAL OF CHEMICAL PHYSICS

Indication for a volatile element 114

(2010) Robert Eichler et al.   RADIOCHIMICA ACTA

Electronic structures and properties of MAu and MOH, where M = Tl and element 113

(2009) V. Pershina et al.   CHEMICAL PHYSICS LETTERS

Atomic Properties of Element 113 and Its Adsorption on Inert Surfaces fromab InitioDirac−Coulomb Calculations

(2008) V. Pershina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS