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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2025	C_c0_m1_53350269_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-37.60454265; Eh
	15-Jul-2025	C_c0_m3_53350270_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397356; Eh
	15-Jul-2025	C_c0_m1_53350269_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.67940021; Eh
	15-Jul-2025	geometry_CH_MP2_DEF2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.28408719; Eh
	15-Jul-2025	geometry_CH_MP2_DEF2-QZVPP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-38.28432166; Eh
	15-Jul-2025	geometry_CH_MP2_DEF2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-38.28405208; Eh
	15-Jul-2025	geometry_CH4_MP2_cc-pVtz_cc-pVtz_C_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-40.21634438; Eh
	15-Jul-2025	geometry_CH4_MP2_DEF2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-40.21634618; Eh
	15-Jul-2025	geometry_CH4_MP2_DEF2-QZVPP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-40.21692063; Eh
	15-Jul-2025	geometry_CH4_MP2_DEF2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-40.21660792; Eh

Results 421-430 of 510 (Search time: 0.001 seconds).