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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	P2_OIA_1_OIA1_Ph3PO_gas_product_C18H15OP_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1109.08848657940598; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_product_gas_CF3O3S_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-960.27083569186971; Eh
	28-Feb-2026	P2_OIA_1_OIA1_Ph3P_gas_reagent_C18H15P_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1033.34820946086143; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_reagent_gas_CF3O2S_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-884.88990419625975; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_product_gas_CF3O3S_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-959.99084733456471; Eh
	28-Feb-2026	P2_OIA_1_OIA1_Ph3PO_gas_product_C18H15OP_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-1109.47892953659539; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_product_gas_CF3O3S_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-959.99084858272829; Eh
	28-Feb-2026	P2_OIA_1_OIA1_Ph3PO_gas_product_C18H15OP_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-1109.47891203795166; Eh
	28-Feb-2026	P2_OIA_1_OIA1_Ph3P_gas_reagent_C18H15P_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-1033.71649572933779; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-anion_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2311.73484871; Eh

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