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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2026	Compound 13 anti conformation PBE pcJ2	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	GENECP	-1669.1118519; Eh
	2-Mar-2026	Compound 11 anti conformation PBE pcJ2	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	GENECP	-1252.9118932; Eh
	2-Mar-2026	Compound 12 anti conformation PBE pcJ2	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	GENECP	-1292.1745288; Eh
	2-Mar-2026	Compound 5 anti conformation PBE pcJ2	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	GENECP	-836.7052643; Eh
	2-Mar-2026	Compound 15 anti conformation PBE pcJ2	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	GEN	-420.5000559; Eh
	5-Mar-2026	TSIVs_S_isomer_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point TS	U-DFT	def2-mSVP	-5360.399190888; Eh
	5-Mar-2026	TSIIIbi_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point TS	U-DFT	def2-mSVP	-5360.404516451; Eh
	5-Mar-2026	TSIIIs_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point TS	U-DFT	def2-mSVP	-5360.401087183; Eh
	5-Mar-2026	TSIIIai_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point TS	U-DFT	def2-mSVP	-5360.395881670; Eh
	5-Mar-2026	TSIVs_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point TS	U-DFT	def2-mSVP	-5360.425394839; Eh

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