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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Mar-2026	/HTS AuCl2_CSD_ZEPLEO_02_b	Klaus, Elisabeth; Kleuker, Felix; Thomas, Sophie R; Mu, Manting; Clarke, Cian; Garcia Melchor, Max; Sommer, Timo; Casini, Angela	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31+G(D) 6-31G(D,P) 6-31G(D) GEN	-2038.3665825; Eh
	25-Mar-2026	/HTS AuCl2_CSD_ZAVROG_02_a	Klaus, Elisabeth; Kleuker, Felix; Thomas, Sophie R; Mu, Manting; Clarke, Cian; Garcia Melchor, Max; Sommer, Timo; Casini, Angela	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31+G(D) 6-31G(D,P) 6-31G(D) GEN	-1922.6330005; Eh
	25-Mar-2026	/HTS AuCl2_CSD_ZETYAY_02_a	Klaus, Elisabeth; Kleuker, Felix; Thomas, Sophie R; Mu, Manting; Clarke, Cian; Garcia Melchor, Max; Sommer, Timo; Casini, Angela	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31+G(D) 6-31G(D,P) 6-31G(D) GEN	-1652.3549932; Eh
	25-Mar-2026	/HTS AuCl2_CSD_ZEZTAB_02_b	Klaus, Elisabeth; Kleuker, Felix; Thomas, Sophie R; Mu, Manting; Clarke, Cian; Garcia Melchor, Max; Sommer, Timo; Casini, Angela	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31+G(D) 6-31G(D,P) 6-31G(D) GEN	-1577.3737005; Eh
	7-Jan-2026	TS33-34	Schmidtke, Inga Lena	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-24510.6160145; Eh
	7-Jan-2026	23-ortho-up	Schmidtke, Inga Lena	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-24240.4078627; Eh
	7-Jan-2026	TS42-43	Schmidtke, Inga Lena	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-24279.6675143; Eh
	7-Jan-2026	TS21-22	Schmidtke, Inga Lena	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-24240.3864687; Eh
	7-Jan-2026	33	Schmidtke, Inga Lena	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-24510.6350774; Eh
	7-Jan-2026	42	Schmidtke, Inga Lena	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-24279.6919696; Eh

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