Multi-User Instruments:
The Institute of Chemistry maintains multi-users laboratories with state of the art equipament such Nuclear Magnetic Resonance (NMR), Ultraviolet-Visible (UV-Vis), Infra-Red (IR), X-ray diffraction (XRD), Mass Spectrometry (MS), gas and liquid chromatography, among others. All multi-user equipament available at the institute are summarized here.
NMR available instruments:
- Bruker Avance III HD 250 MHz equipped with a 5 mm QNP (13C,19F,31P) probe.
- Bruker Avance III 400 MHz equipped with a 5 mm TBI S1 (13C dedicated channel), BBI SI, and g-HR MAS SB BL4 (13C and 31P dedicated channels) probes.
- Bruker Avance III 500 MHz equipped with a 5 mm smart BBO and a 10 mm MIC 500S2/AS Body probes.
- Bruker Avance III 600 MHz equipped with a 5 mm TBI S3 (13C dedicated channel) and TBO S3 (19F dedicated channel) probes.
Computational facilities:
Our group is able to run electronic structure calculations with Gaussian 09, ADF 2017, GAMESS, Dalton 2016, Spartan 16, NBO 6, NCIplot, AIMAll(QTAIM), and ORCA software.
Our cluster offers the following computational facilities:
- Login-/Fileserver: octo-core Intel(R) Xeon(R) CPU E3-1230 V2 @ 3.30GHz with RAID 0 and two HD of 3 TB.
- 35 x Nodes: Intel(R) Core(TM) i7-2600 CPU @ 3.40GHz, 16 GB of RAM and HD of 1 TB.
- 07 x Nodes: Intel(R) Core(TM) i7-2600 CPU @ 3.40GHz, 8 GB of RAM and HD of 1 TB.
- 01 x Node: 4 x Intel(R) Xeon(R) CPU E7450 hexa-core @ 2.40GHz, 64 GB of RAM and HD of 1.5 TB.
- 01 x Node: 4 x Intel(R) Xeon(R) CPU X7350 quad-core @ 2.93GHz, 128 GB of RAM and HD of 1 TB.
- 01 x Node: 4 x Intel(R) Xeon(R) CPU X7350 octa-core @ 2.93GHz, 256 GB of RAM and HD of 1.5 TB.
Currently we also have a project entitled "NMR spectroscopy: Beyond structural elucidation (NMRSPEC)" at the SINAPAD cluster SDumont.