ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
triplet-4-8-opt.Opt.xyzDownload
triplet-4-8-opt.molcasDownload
output.cmlDownload
Referenced by:

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

Journal: PCCP

DOI: 10.1039/c7cp01446e

Metadata:

Title: /US2(2+)/S=1 CAS(4,8)PT2_optimisation_triplet
Authors: Bandeira, Nuno
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;
Description: CAS(4,8)PT2 optimisation triplet
URI: https://iochem-bd.iciq.es/browse/handle/100/1939
Appears in Collections:AnS2(2+)_cations - DOI: 10.19061/iochem-bd-1-30



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/1939

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