10.14469/HPC/407
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
Deuteronium deuteroxide; free energy differences.
Imperial College London
2016
Results
InChI=1S/10H2O.HO.H/h10*1H2;1H;
InChI=1S/11H2O/h11*1H2
QFKPKUIFHZLBPM-UHFFFAOYSA-N
WGEHYWFZPMPGLC-UHFFFAOYSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2016
https://data.hpc.imperial.ac.uk/resolve/?ore=407
https://data.hpc.imperial.ac.uk/resolve/?doi=407&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=407&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=407&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=407&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=407&file=5
https://data.hpc.imperial.ac.uk/resolve/?doi=407&file=6
10.14469/ch/191998
10.14469/ch/191999
10.14469/hpc/177
Creative Commons: Public Domain Dedication 1.0
The calculated normal modes for pure water cluster and the ionized form for both D and T isotopes