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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_IV_Monomer_TightPNO/M06 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)	-1361.55708853137867; Eh
	24-Feb-2026	/V_IV_Monomer_TightPNO/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)	-1361.55770881295757; Eh
	24-Feb-2026	/V_V_Monomer_TightPNO/PBE0 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)	-1361.36346063484393; Eh
	24-Feb-2026	/V_IV_Monomer/B3LYP 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)	-1361.55775419643214; Eh
	24-Feb-2026	/V_IV_Monomer/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)	-1361.55463777873047; Eh
	24-Feb-2026	/V_V_Monomer/M06 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)	-1361.36224370624177; Eh
	24-Feb-2026	/Hf-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)	-6714.78293631880751; Eh
	8-Jun-2026	/Marcus_Theory/EnT/Landa_R T_A2_rw	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-575.9044173; Eh
	8-Jun-2026	/Marcus_Theory/EnT/Landa_P S_A2_rw	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-576.011412; Eh
	8-Jun-2026	/Marcus_Theory/EnT/Landa_P T_B2_rw	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-540.011753; Eh

Results 397781-397790 of 397850 (Search time: 0.237 seconds).