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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH2_r2SCAN-3C_def2-QZVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-39.05411352; Eh
15-Jul-2025	CH2_PWPB95_def2-QZVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_PWPB95_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH2_CCSDT_CBSTQ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	def2-TZVP/C; def2/J	-38.93815994; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pV5Z_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH2_CCSDT_CBSTQ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_CCSDT_CBSTQ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH_c+1_m1_53350276_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-37.90957761; Eh
15-Jul-2025	CH_c-1_m1_53350272_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.23299208; Eh
15-Jul-2025	CH_c-1_m1_53350272_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.33701247; Eh

Results 171-180 of 510 (Search time: 0.002 seconds).