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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2026	/V_V_Monomer/M06 def2qzvp	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pwCVTZ; aug-cc-pwCVTZ/C; CPCM(Methanol)	-1361.36262362010712; Eh
	24-Feb-2026	/Ti-POV POV_V_2_IV_3	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	def2-TZVP; CPCM(Acetonitrile)	-7515.71371308560720; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/PBE0 def2tzvppd	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pwCVTZ; aug-cc-pwCVTZ/C; CPCM(Methanol)	-1361.55856986322033; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/B3LYP def2qzvppd	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pwCVTZ; aug-cc-pwCVTZ/C; CPCM(Methanol)	-1361.36054149824713; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/M06 def2tzvpp	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pwCVTZ; aug-cc-pwCVTZ/C; CPCM(Methanol)	-1361.55697968348477; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/TPSS def2tzvp	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pwCVTZ; aug-cc-pwCVTZ/C; CPCM(Methanol)	-1361.55463777971727; Eh
	24-Feb-2026	/V_V_Monomer/PBE0 def2svp	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pwCVTZ; aug-cc-pwCVTZ/C; CPCM(Methanol)	-1361.36360290553012; Eh
	24-Feb-2026	/Nb-POV POV_V_3_IV_2	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; CPCM(Acetonitrile)	-6683.39188294863106; Eh
	24-Feb-2026	/Zr-POV POV_V_1_IV_4	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; CPCM(Acetonitrile)	-6713.80771824310705; Eh
	24-Feb-2026	/Ti-POV POV_V_4_IV_1	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	def2-TZVP; CPCM(Acetonitrile)	-7515.23389334186868; Eh

Results 399961-399970 of 403353 (Search time: 0.266 seconds).