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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_Cl V6-Cl_VDE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-8744.1310926; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4c_VDE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-8202.1461575; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4a_VDE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-7824.8885865; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S2 S2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP DEF2SVP GEN	-10709.4419035; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S3 S3-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP DEF2SVP GEN	-10708.8494733; Eh
	31-May-2024	H2O_vertical_electron_capture	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	AUG-CC-PVTZ	-76.461932; Eh
	31-May-2024	C6H6+_scan	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	AUG-CC-PVTZ	-231.9139111; Eh
	31-May-2024	C6H6_scan	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	AUG-CC-PVTZ	-232.227175; Eh
	2-Jun-2024	H3O2_scan_frozen	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	AUG-CC-PVTZ	-152.2329792; Eh
	21-Mar-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad_isomer V6-Ad_VDE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-8981.6207404; Eh

Results 591-600 of 626 (Search time: 0.004 seconds).