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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/PBE0 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)	-1361.36346348833172; Eh
	24-Feb-2026	/Zr-POV POV_III_1_IV_5	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; CPCM(Acetonitrile)	-6714.05750058558624; Eh
	24-Feb-2026	/Nb-POV POV_V_0_IV_5	Duggan, Genevieve; Miro, Pere; Corsi, Sara	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; CPCM(Acetonitrile)	-6684.03475956203056; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/B3LYP 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)	-1361.36045065705025; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/TPSS 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)	-1361.55477858357631; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/PBE0 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)	-1361.36346225968828; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/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)	-1361.55404391066486; Eh
	24-Feb-2026	/V_V_Monomer/PBE0 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)	-1361.36346225959869; Eh
	24-Feb-2026	/V_IV_Monomer/TPSS 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)	-1361.55477858468726; Eh
	24-Feb-2026	/V_V_Monomer/PBE0 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)	-1361.36352425307587; Eh

Results 399951-399960 of 403353 (Search time: 0.212 seconds).