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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2021	/lin/ox3 z_lin_c_23_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3371762; Eh
	20-Sep-2021	S1_5a	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD; TD-FC	DEF2TZVP	-937.088191785; Eh
	2-Oct-2021	/lin/ox3 z_lin_c_22_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3159097; Eh
	2-Oct-2021	/lin/ox3 z_lin_c_24_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.328113; Eh
	2-Oct-2021	/lin/ox3 d_lin_t_47_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3596272; Eh
	20-Sep-2021	S1-T2_MECP2_A	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD; TD-FC	DEF2TZVP	-937.088744803; Eh
	2-Oct-2021	/lin/ox3 z_lin_t_23_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3426906; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_47_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.62086; Eh
	20-Sep-2021	S1-T2_MECP1_A	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD; TD-FC	DEF2TZVP	-937.092347740; Eh
	20-Sep-2021	T2-T1_MECP1_B	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD; TD-FC	DEF2TZVP	-937.095978225; Eh

Results 41-50 of 863 (Search time: 0.001 seconds).