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Collection hits:

Collection Name
JMCC

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Jun-2026	PBE-DH-INVEST_dZ	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	TDDFT	aug-cc-pVDZ; aug-cc-pVTZ/C	-494.49649845; Eh
	11-Jun-2026	PBE-DH-INVEST_tZ	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	TDDFT	aug-cc-pVTZ; aug-cc-pVTZ/C	-494.60264016; Eh
	11-Jun-2026	PBE-QIDH-NL_ad_me	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	RKS	def2-QZVP; AutoAux	-428.85942959; Eh
	11-Jun-2026	PBE-QIDH-NL_p_me	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	RKS	def2-QZVP; AutoAux	-233.92811212; Eh
	11-Jun-2026	PBE-QIDH-NL_p	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	RKS	def2-QZVP; AutoAux	-194.05385218; Eh
	17-Jun-2026	/functional-test/UBn PBE-D3	O'Leary, Cara; Vlaisavljevich, Bess	TURBOMOLE; 7.8.1	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-4084.696411543; Eh
	17-Jun-2026	/functional-test/UBn TPSS-D3	O'Leary, Cara; Vlaisavljevich, Bess	TURBOMOLE; 7.8.1	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-4089.024476899; Eh
	17-Jun-2026	/functional-test/UBn TPSSh-D3	O'Leary, Cara; Vlaisavljevich, Bess	TURBOMOLE; 7.8.1	Geometry optimization	U-DFT	def-TZVP; def2-TZVP	-4088.762747073; Eh
	17-Jun-2026	/functional-test/UBn PBE0-D3	O'Leary, Cara; Vlaisavljevich, Bess	TURBOMOLE; 7.8.1	Geometry optimization	U-DFT	def-TZVP; def2-TZVP	-4085.123703791; Eh

Results 397931-397940 of 397952 (Search time: 0.225 seconds).