Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H<sub>2</sub>X (X = O, S, Se, Te, Po)
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- Roberto Di Remigio
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø , N-9037 Tromsø, Norway
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- Radovan Bast
- Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center , S-10691 Stockholm, Sweden
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- Luca Frediani
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø , N-9037 Tromsø, Norway
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- Trond Saue
- Laboratoire de Chimie et Physique Quantiques (UMR 5626), CNRS/Université de Toulouse III (Paul Sabatier) , 118 route de Narbonne, 31062 Toulouse, France
収録刊行物
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- The Journal of Physical Chemistry A
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The Journal of Physical Chemistry A 119 (21), 5061-5077, 2014-11-20
American Chemical Society (ACS)