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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	CH_revDSD-PBEP86_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-38.38291156955994; Eh
	15-Jul-2025	CH_DLPNO-CCSDT_aug-cc-pV5Z_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pV5Z; aug-cc-pV5Z/C	-38.28437681; Eh
	15-Jul-2025	CH_DLPNO-CCSDT_aug-cc-pVQZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.28395463; Eh
	15-Jul-2025	CH_DLPNO-CCSDT_aug-cc-pVQZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291334; Eh
	15-Jul-2025	CH_DLPNO-CCSDT_aug-cc-pVTZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38203007; Eh
	15-Jul-2025	CH_DLPNO-CCSDT_aug-cc-pVQZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38203007; Eh
	15-Jul-2025	CH2_revDSD-PBEP86-D3BJ_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-39.02465401417764; Eh
	15-Jul-2025	CH2_revDSD-PBEP86-D3BJ_2021_def2-QZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-39.06330438362384; Eh
	15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pVTZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVTZ; aug-cc-pVTZ/C	-38.93815994; Eh
	15-Jul-2025	CH2_DLPNO-CCSDT_CBSTQ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVP/C; def2/J	-38.93815994; Eh

Results 51-60 of 510 (Search time: 0.001 seconds).