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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_c-1_m2_53350255_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.69392702; Eh
	15-Jul-2025	geometry_C_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	-37.69335128; Eh
	15-Jul-2025	geometry_CH_MP2_def2-SVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.28393971; Eh
	15-Jul-2025	geometry_C_MP2_cc-pVtz_cc-pVtz_C_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	MP2	cc-pVtz; cc-pVtz/C	-37.69156945; Eh
	15-Jul-2025	geometry_CH_MP2_def2-SVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	def2-SVP; def2-SVP/C	-38.23403203; Eh
	15-Jul-2025	geometry_CH_MP2_def2-SVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	def2-SVP; def2-SVP/C	-38.23355469; Eh
	15-Jul-2025	geometry_C_MP2_DEF2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-37.69362636; Eh
	15-Jul-2025	geometry_CH4_MP2_def2-SVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-40.21591651; Eh
	15-Jul-2025	geometry_CH_CCSDT_cc-pVtz_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.28392229; Eh
	15-Jul-2025	geometry_CH_CCSDT_cc-pVtz_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	CCSD(T)	cc-pVtz; cc-pVtz/C	-38.28136167; Eh

Results 231-240 of 510 (Search time: 0.002 seconds).