Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po)

Author:

Di Remigio Roberto1,Bast Radovan23,Frediani Luca1,Saue Trond4

Affiliation:

1. Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø , N-9037 Tromsø, Norway

2. Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center , S-10691 Stockholm, Sweden

3. PDC Center for High Performance Computing, Royal Institute of Technology , S-10044 Stockholm, Sweden

4. Laboratoire de Chimie et Physique Quantiques (UMR 5626), CNRS/Université de Toulouse III (Paul Sabatier) , 118 route de Narbonne, 31062 Toulouse, France

Funder

Directorate-General for Education and Culture

Norges forskningsr?d

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

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