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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_1 I2_Et3NHBF4_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2190.36657465; Eh
	7-Apr-2019	/Catalytic_cycle_1 I1_Et3NHBF4_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2190.36122252; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Syn_Si_Down_Trans_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.79095131; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Anti_Si_Up_Trans_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.79132280; Eh
	7-Apr-2019	/Catalytic_cycle_1 T2_Et3NHBF4_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-2190.34220850; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Syn_Si_Up_Trans_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.78365638; Eh
	7-Apr-2019	/Common_species Et3NHBF4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-716.679500055; Eh
	7-Apr-2019	/Common_species T0	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-1767.83582849; Eh
	22-Dec-2021	/MainMechanism/Hf TS3-2O	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-21.35024102; Eh
	19-Sep-2018	/1_electron/2_H+/W2O2S8H2 BC4	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-3.08582708; Eh

Results 25151-25160 of 104445 (Search time: 0.018 seconds).