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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2025	geometry_CH3_MP2_def2-SVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	def2-SVP; def2-SVP/C	-39.49244320; Eh
	15-Jul-2025	geometry_C_CCSDT_cc-pVtz_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	C_WB97X-D4_def2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-TZVP/C; def2/J	-37.87459842; Eh
	15-Jul-2025	geometry_C_CCSDT_cc-pVtz_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	cc-pVtz; cc-pVtz/C	-37.69156945; Eh
	15-Jul-2025	C_WB97X-D4_def2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397350; Eh
	15-Jul-2025	CH_revDSD-PBEP86_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-38.35875975717622; Eh
	15-Jul-2025	CH_r2SCAN-3C_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-38.46439712; Eh
	15-Jul-2025	CH_revDSD-PBEP86-D3BJ_2021_def2-QZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-38.38291183658190; Eh
	15-Jul-2025	CH_revDSD-PBEP86-D3BJ_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-38.38291156955994; Eh
	15-Jul-2025	CH_revDSD-PBEP86_2021_def2-QZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-38.38291183658190; Eh

Results 41-50 of 510 (Search time: 0.001 seconds).