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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2024	/generics/BS1 PhBr	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-2803.06135227; Eh
	9-May-2024	/generics/BS1 PMe3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-461.104031265; Eh
	18-Jun-2024	/Transition_states/Co/0001 2321-1211+1111	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	23-Jul-2025	/TiO2(110)/CxHyS/Ethanethial/hollow_M5c-Obr config_3	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1118.54381997; eV
	19-Mar-2026	/Mo Mo04O18-6H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.04141139; Eh
	19-Mar-2026	/Mo Mo01O04-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	6-Sep-2024	/M06L/Nb Nb01O05-4H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Nb Nb02O07-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	18-Jun-2024	/Transition_states/Co/0001 2223-1112+1111	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	18-Jun-2024	/Transition_states/Co/0001 1312-1201+0111	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-

Results 75581-75590 of 104126 (Search time: 0.052 seconds).