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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_C_MP2_DEF2-QZVPP_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	geometry_C_MP2_def2-SVP_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	geometry_mp2_c_CCSDT_def2-TZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	def2-TZVP; def2-TZVP/C	-37.69248112; Eh
	15-Jul-2025	geometry_C_MP2_def2-SVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	MP2	def2-SVP; def2-SVP/C	-37.64523597; Eh
	15-Jul-2025	geometry_CH_MP2_cc-pVtz_cc-pVtz_C_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	cc-pVtz; cc-pVtz/C	-38.28150831; Eh
	15-Jul-2025	geometry_CH_MP2_cc-pVtz_cc-pVtz_C_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	cc-pVtz; cc-pVtz/C	-38.28118205; Eh
	15-Jul-2025	geometry_CH3_MP2_cc-pVtz_cc-pVtz_C_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-39.58053500; Eh
	15-Jul-2025	geometry_CH3_MP2_cc-pVtz_cc-pVtz_C_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	cc-pVtz; cc-pVtz/C	-39.57770230; Eh
	15-Jul-2025	geometry_CH3_MP2_cc-pVtz_cc-pVtz_C_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	cc-pVtz; cc-pVtz/C	-39.54224358; Eh
	15-Jul-2025	geometry_CH3_CCSDT_cc-pVtz_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-39.58039282; Eh

Results 131-140 of 510 (Search time: 0.002 seconds).