OpenData - Digital Repository at University of Zaragoza (Spain)

Search 2 records for:

Help :: Advanced Search

Latest additions:

2011-09-07 11:47	Conformational energy calculations on the dipeptide formyl-L-alanyl-amide, using the quantum chemical RHF and MP2 with a range of Pople basis sets This corresponds to a series of approximately 40,000 quantum chemical calculations on one single system, the model dipeptide HCO-L-Ala-NH2, with 16 atoms and no charge [...] Link externo : Ver el archivo opendata Similar records
2011-09-07 11:47	Conformational energy DFT calculations on the dipeptide formyl-L-alanyl-amide, using the B3LYP functional and a range of correlation consistent basis sets This corresponds to one single system, the model dipeptide HCO-L-Ala-NH2, with 16 atoms and no charge [...] Link externo : Ver el archivo data Similar records

Related links