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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_CCSDT_cc-pVtz_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-40.21620065; Eh
	15-Jul-2025	geometry_CH3_MP2_def2-SVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-39.58009784; Eh
	15-Jul-2025	geometry_CH4_CCSDT_cc-pVtz_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	CCSD(T)	cc-pVtz; cc-pVtz/C	-40.21345481; Eh
	15-Jul-2025	geometry_CH4_CCSDT_cc-pVtz_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	CCSD(T)	cc-pVtz; cc-pVtz/C	-40.21330808; Eh
	15-Jul-2025	geometry_CH3_MP2_def2-SVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	def2-SVP; def2-SVP/C	-39.53299919; Eh
	15-Jul-2025	C_revDSD-PBEP86-D4_2021_def2-TZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-TZVP; def2-TZVP/C; def2/J	-37.74820534588824; Eh
	15-Jul-2025	C_WB97X-D4_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.87459842; Eh
	15-Jul-2025	C_revPBE0_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.84453443; Eh
	15-Jul-2025	C_revDSD-PBEP86-D4_2021_def2-TZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	-	-37.75397353248424; Eh
	15-Jul-2025	C_WB97X-D4_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397350; Eh

Results 331-340 of 510 (Search time: 0.002 seconds).