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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_CH2_MP2_DEF2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.94041120; Eh
	15-Jul-2025	geometry_CH2_MP2_def2-SVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.94010689; Eh
	15-Jul-2025	geometry_CH2_MP2_DEF2-QZVPP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-38.94086846; Eh
	15-Jul-2025	geometry_CH2_MP2_DEF2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-38.94009501; Eh
	15-Jul-2025	geometry_CH2_MP2_def2-SVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	def2-SVP; def2-SVP/C	-38.89459262; Eh
	15-Jul-2025	geometry_CH2_MP2_def2-SVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	def2-SVP; def2-SVP/C	-38.89374955; Eh
	15-Jul-2025	C_M062X_aug-cc-pVDZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	aug-cc-pVDZ; def2-TZVP/C; def2/J	-37.83844892; Eh
	15-Jul-2025	C_r2SCAN-3C_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.83459537; Eh
	15-Jul-2025	C_PWPB95_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.81271097; Eh
	15-Jul-2025	C_revDSD-PBEP86_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	-	-37.75397345314158; Eh

Results 431-440 of 510 (Search time: 0.001 seconds).