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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2026	/Zr-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)	-6713.34812084303212; Eh
	24-Feb-2026	/POV POV_V_1_IV_5	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; CPCM(Acetonitrile)	-7570.78198543537746; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/B3LYP def2qzvpp	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)	-1361.36051868652430; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/PBE def2qzvpd	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)	-1361.55405356682422; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/TPSSh 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)	-1361.55618800572211; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/PBE0 def2tzvpd	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)	-1361.36330169710936; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/M06 def2qzvpp	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)	-1361.36261008154429; Eh
	24-Feb-2026	/V_V_Monomer/B3LYP 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)	-1361.36070753250556; Eh
	24-Feb-2026	/V_IV_Monomer/PBE 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)	-1361.55404391246566; Eh
	24-Feb-2026	/V_V_Monomer/TPSS def2tzvpd	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)	-1361.35530562950316; Eh

Results 397391-397400 of 397867 (Search time: 0.253 seconds).