ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search:

for

Current filters:

Results/Page |

Sort items by

In order

Authors/record

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
13-Jul-2023	B6Cl5N2_(-)_CCSD(T)	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Single point Structure	RCCSD	DEF2TZVPP	-2557.069898; Eh
13-Jul-2023	B6Cl5_(-)_CCSD(T)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCCSD	DEF2TZVPP	-2447.6228216; Eh
13-Jul-2023	B6Cl5(H2O)_(-)_CCSD(T)	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Single point Structure	RCCSD	DEF2TZVPP	-2524.0277504; Eh

Results 1-3 of 3 (Search time: 0.002 seconds).