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Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling.

artículo científico publicado en 2017

Computational Study of the Influence of Nitrogen-Containing Unsaturated Heterocyclic Substituents on Electronic and Spectroscopic Properties of Squaraine Derivatives

artículo científico publicado en 2019

Convergence of approximate two-component Hamiltonians: how far is the Dirac limit

scientific article published on 01 August 2005

Convergence of experiment and theory on the pure vibrational spectrum of HeH(+)

artículo científico publicado en 2006

Darwin and mass-velocity relativistic corrections in non-Born-Oppenheimer variational calculations

artículo científico publicado en 2006

Darwin and mass-velocity relativistic corrections in the non-Born-Oppenheimer calculations of pure vibrational states of H2

artículo científico publicado en 2006

Electron affinity of (7)Li calculated with the inclusion of nuclear motion and relativistic corrections

artículo científico publicado en 2007

Interaction-induced electric properties and cooperative effects in model systems

artículo científico publicado en 2009

Lowest excitation energy of 9Be

artículo científico publicado en 2007

Orbit-orbit relativistic correction calculated with all-electron molecular explicitly correlated Gaussians

artículo científico publicado en 2016

Orbit-orbit relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of H(2).

artículo científico publicado en 2008

Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of 3He and 4He

artículo científico publicado en 2007

Selection of a Gaussian basis set for calculating the Bethe logarithm for the ground state of the hydrogen atom

artículo científico publicado en 2013

Simple and efficient synthesis with theoretical calculations of novel N-halamine monomers

artículo científico publicado en 2013

Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green → blue → red crystal color sequence

scientific article published on 11 July 2019

Two-component relativistic methods for the heaviest elements

artículo científico publicado en 2004