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Browsing by Author Vidal, Daniel

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Showing results 41 to 60 of 294 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Jan-2023	/L2_PARA S3_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3332.09016529; Eh
2-Jan-2023	/L2_PARA S3_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3332.09959162; Eh
2-Jan-2023	/L2_PARA S4_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2888.92966725; Eh
2-Jan-2023	/L2_PARA S4_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2888.93572801; Eh
2-Jan-2023	/L2_PARA S5_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2858.78932723; Eh
2-Jan-2023	/L2_PARA S5_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2858.79737335; Eh
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_PARA S6_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3577.73927963; Eh
2-Jan-2023	/L2_PARA S7_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-7799.44023879; Eh
2-Jan-2023	/L2_PARA S7_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-7799.44859583; Eh
2-Jan-2023	/L2_PARA S8_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2771.26601098; Eh
2-Jan-2023	/L2_PARA S8_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2771.27234557; Eh
2-Jan-2023	/L2_PARA S9_L2_PARA_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2844.61112615; Eh
2-Jan-2023	/L2_PARA S9_L2_PARA_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2844.62055097; Eh
27-Sep-2021	SCO_B3LYP_S10_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-2719.13203843; Eh
27-Sep-2021	SCO_B3LYP_S10_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-2719.13106035; Eh
27-Sep-2021	SCO_B3LYP_S11_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-8013.55697238; Eh
27-Sep-2021	SCO_B3LYP_S11_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-8013.55948049; Eh
27-Sep-2021	SCO_B3LYP_S12_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-4077.63918685; Eh
27-Sep-2021	SCO_B3LYP_S12_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-4077.63667940; Eh

Showing results 41 to 60 of 294 < previous next >