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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	Optimization_H_complex_l132	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	LANL2DZ DEF2TZVP GEN	-2435.14781593; 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
	14-Feb-2023	Optimization_H_complex_l95	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	LANL2DZ DEF2TZVP GEN	-2356.51104972; Eh
	14-Feb-2023	B3LYP_complex_l132	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-311++G(D,P) GEN	-2435.3786735; Eh
	14-Feb-2023	B3LYP_complex_l95	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-311++G(D,P) GEN	-2356.6989743; Eh
	21-Mar-2023	/GROUP_B/Triplet 14-Pyridine_anion(4-C-1)	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-247.4913845; Eh
	21-Mar-2023	/GROUP_B/Triplet 13-1,4-Oxazin-1-ium	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-284.3232189; Eh
	21-Mar-2023	/GROUP_B/Triplet 10-1,2-Azaphosphinine	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-550.7498068; Eh
	21-Mar-2023	/GROUP_B/Triplet 11-1,3-Azaphosphinine	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-550.7309648; Eh

Results 21-30 of 102 (Search time: 0.0 seconds).