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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_btdreal_tsrr	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2330.38152988; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_tsPrA	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2215.96923888; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_pha_tsa	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2332.36647396; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_fpha_tsa	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2431.51079536; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_cf3pha_tsa	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-3005.82816165; Eh
	31-May-2022	TS4	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2TZVP	-2477.15696455; Eh
	31-May-2022	TS5	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-3213.56188496; Eh
	31-May-2022	TS3	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1736.19866099; Eh
	31-May-2022	TS1	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2TZVP	-998.432125353; Eh
	31-May-2022	TS9	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2TZVP	-2714.80212336; Eh

Results 11-20 of 94 (Search time: 0.002 seconds).