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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2024	/calcs/03_NICS/01_ring_centers/03_My2_DBP/01_precursors/3_8_isomer _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-922.070863205; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/03_My2_DBP/01_precursors/1_6_isomer _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-615.090863297; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/02_My2_DADPA/01_precursors/n_3 _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-800.611006539; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/02_My2_DADPA/01_precursors/n_1 _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-493.619589859; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/02_My2_DADPA/01_precursors/n_0 _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-340.108125747; Eh
	22-Apr-2024	/protonated acetate	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-228.161412763; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/04_My2_DADBP/01_precursors/2_7_isomer _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-954.142663436; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/02_My2_DADPA/01_precursors/n_2 _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-647.123247961; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/03_My2_DBP/01_precursors/2_7_isomer _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-922.082370320; Eh
	2-May-2024	/calcs/03_NICS/01_ring_centers/01_My2_DPA/01_precursors/n_1 _css_go_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-311G(D)	-461.563651768; Eh

Results 431-440 of 444 (Search time: 0.002 seconds).