Dr. Arturo Espinosa
Universidad de Murcia
Departamento de Química Orgánica
Facultad de Química
Campus de Espinardo
30100 Murcia
España
Website
Tel: +34 868 88 7489
Fax: +34 868 88 4149
Expertise
Organic chemistry; organophosphorus compounds; coordination chemistry; inorganic chemistry; molecular recognition and sensing; quantum chemical calculations; molecular modeling; ring strain.
Equipment
• Shared access to a cluster for scientific calculation, with
* A server node with Intel(R) Xeon(R) CPU E5-2650 0 @ 2.00GHz and 4 GB memory
* 384 calculation cores, made up by
- 8 physical calculation nodes with 16 cores Intel(R) Xeon(R) CPU E5520 @ 2.27GHz and
32 GB memory per node
- 8 virtual calculation nodes with 32 cores Intel(R) Xeon(R) CPU E5-2650 @ 2.00GHz and
128 GB memory per node.
• Software:
* Gaussian 09 (revision A02) software package
* Orca version 3.0.2
* NBO 5.9
* AIMAll (v. 14.04.17)
