ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Mar-2026	/fluronapthalene/anion/Cl4F_isomer_37_0 Cl4F_isomer_37_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1241.99308875; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl4F_isomer_39_0 Cl4F_isomer_39_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1241.99870457; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl4F_isomer_31_1 Cl4F_isomer_31_1	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1241.99867519; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl4F_isomer_43_0 Cl4F_isomer_43_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	CBSB1	-1242.00374709; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl4F_isomer_44_0 Cl4F_isomer_44_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Minimum	-	CBSB1	-1242.00262646; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl6F_isomer_72_0 Cl6F_isomer_72_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1440.27124675; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl6F_isomer_71_1 Cl6F_isomer_71_1	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1440.26951431; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl4F_isomer_38_0 Cl4F_isomer_38_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1242.00064663; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl7F_isomer_74_0 Cl7F_isomer_74_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1539.40330280; Eh
	6-Mar-2026	/fluronapthalene/sp/2F_isomer_11 2F_isomer_11	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-583.9133181; Eh

Results 388041-388050 of 397899 (Search time: 0.228 seconds).