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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Nov-2022	c59pc	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	DEF2SVP	-6176.232627; Eh
	30-Nov-2022	c60znttp-donor-n	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	DEF2SVP	-4907.2569726; Eh
	30-Nov-2022	c60az	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	DEF2SVP	-3154.5788367; Eh
	14-Feb-2023	CAM-B3LYP_complex_l132	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	LANL2DZ DEF2TZVP GEN	-2434.5357922; Eh
	14-Feb-2023	CAM-B3LYP_complex_l95	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	LANL2DZ DEF2TZVP GEN	-2355.9078095; Eh
	21-Mar-2023	/GROUP_B/Singlet 14-Pyridine_anion(4-C-1)	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-247.5790702; Eh
	21-Mar-2023	/GROUP_B/Singlet 11-1,3-Azaphosphinine	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-550.8630972; Eh
	21-Mar-2023	/GROUP_B/Singlet 12-1,4-Azaphosphinine	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-550.8665716; Eh
	21-Mar-2023	/GROUP_B/Singlet 13-1,4-Oxazin-1-ium	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-284.4128353; Eh
	21-Mar-2023	/GROUP_B/Singlet 15-1,4-Dioxindiium	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-304.362809; Eh

Results 841-850 of 888 (Search time: 0.001 seconds).