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Collection hits:

Collection Name
P19

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2026	/V_V_Monomer/TPSSh 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)	-1361.35966766572983; Eh
	24-Feb-2026	/V_IV_Monomer/PBE 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)	-1361.55207902506277; Eh
	4-Jun-2026	5P	DeSnoo, William; Tantillo, Dean; Lin, Audrey	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	nosymm; m062x	6-31G(D)	-600.983635198; Eh
	4-Jun-2026	4P	DeSnoo, William; Tantillo, Dean; Lin, Audrey	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	nosymm; m062x	6-31G(D)	-720.240192282; Eh
	4-Jun-2026	4TS	DeSnoo, William; Tantillo, Dean; Lin, Audrey	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	nosymm; m062x	6-31G(D)	-720.143204786; Eh
	4-Jun-2026	5	DeSnoo, William; Tantillo, Dean; Lin, Audrey	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	nosymm; m062x	6-31G(D)	-600.926428212; Eh
	4-Jun-2026	4	DeSnoo, William; Tantillo, Dean; Lin, Audrey	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	nosymm; m062x	6-31G(D)	-720.156539527; Eh
	8-Jun-2026	/Radical Abstractions/HAT/Boryl_Radical add1_B	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	wB97xD	DEF2SVP	-813.859613584; Eh
	8-Jun-2026	/Radical Abstractions/HAT/Boryl_Radical add2_B	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	wB97xD	DEF2SVP	-813.868010888; Eh

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