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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	geometry_CH4_MP2_def2-SVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	def2-SVP; def2-SVP/C	-40.16924685; Eh
	15-Jul-2025	geometry_CH_CCSDT_cc-pVtz_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	CCSD(T)	cc-pVtz; cc-pVtz/C	-38.28150906; Eh
	15-Jul-2025	geometry_CH4_MP2_def2-SVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	def2-SVP; def2-SVP/C	-40.16928649; Eh
	15-Jul-2025	geometry_CH2_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	-38.94041772; Eh
	15-Jul-2025	geometry_CH2_MP2_cc-pVtz_cc-pVtz_C_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	cc-pVtz; cc-pVtz/C	-38.93790620; Eh
	15-Jul-2025	geometry_CH2_CCSDT_cc-pVtz_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.94027948; Eh
	15-Jul-2025	geometry_CH2_MP2_cc-pVtz_cc-pVtz_C_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	cc-pVtz; cc-pVtz/C	-38.93713345; Eh
	15-Jul-2025	geometry_CH2_CCSDT_cc-pVtz_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	CCSD(T)	cc-pVtz; cc-pVtz/C	-38.93778206; Eh
	15-Jul-2025	geometry_CH2_CCSDT_cc-pVtz_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	CCSD(T)	cc-pVtz; cc-pVtz/C	-38.93713345; Eh
	15-Jul-2025	C_M062X_aug-cc-pVDZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397350; Eh

Results 241-250 of 510 (Search time: 0.001 seconds).