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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Sep-2021	fragRR2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.791514210; Eh
	3-Sep-2021	fragSS2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.784472117; Eh
	3-Sep-2021	fragSR2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.788800875; Eh
	3-Sep-2021	fragSR2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.789553820; Eh
	3-Sep-2021	fragSS2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.787632625; Eh
	3-Sep-2021	fragRS2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.785922021; Eh
	3-Sep-2021	fragRR2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.786045333; Eh
	3-Sep-2021	fragRS2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq	Van der Kamp, Marc	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-803.782238082; Eh

Results 1-8 of 8 (Search time: 0.001 seconds).