Actions:

View dataDownload geometry
Files in This Item:
File Description Size 
doublet.Opt.xyz176 BDownload
doublet.molcas1.05 kBDownload
output.cml113.57 kBDownload
Referenced by:

Manuscript title: Synthesis, structure and bonding of actinide disulphide dications in the gas phase

Journal: PCCP

DOI: 10.1039/c7cp01446e

Metadata:

Title: /NpS2(2+)/S=1_2 Eta2-NpS2(2+)_CAS(5,8)PT2_optimisation
Authors: Bandeira, Nuno
Institute of Chemical Research of Catalonia
Keywords: CASPT2;Actinides;Multi-configurational calculations;Thioactinyls
Issue Date: 28-Feb-2017
Publisher: Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, 2695-066 Bobadela LRS, Portugal;
Institute of Chemical Research of Catalonia;
Related to: Title: Synthesis, structure and bonding of actinide disulphide dications in the gas phase
Journal: PCCP
DOI: 10.1039/c7cp01446e
Description: Eta2-NpS2(2+) CAS(5,8)PT2 optimisation
URI: https://www.iochem-bd.org//handle/10/289
Appears in Collections:AnS2(2+)_cations



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/289

Item files in Find  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License