ioChem-BD Browse - Barcelona Supercomputing Center: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Jan-2023	/L2_PARA S6_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3577.73099255; Eh
2-Jan-2023	/L2_META S2_L2_META_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2739.28060398; Eh
2-Jan-2023	/L2_META S2_L2_META_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2739.28885348; Eh
2-Jan-2023	/L2_PARA S1_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2661.21052329; Eh
2-Jan-2023	/L1 S7_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-12554.3755780; Eh
2-Jan-2023	/L1 S7_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-12554.3861776; Eh
2-Jan-2023	/L1 S8_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2498.07721113; Eh
2-Jan-2023	/L1 S8_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2498.07055135; Eh
2-Jan-2023	/L1 S9_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2644.65495371; Eh
2-Jan-2023	/L1 S9_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2644.67304815; Eh

Results 11-20 of 104 (Search time: 0.001 seconds).