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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 14 transition state between syn and anti conformation P	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	GENECP	-1708.35096424; Eh
	2-Mar-2026	Compound 10 transition state between syn and anti conformation P	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	GENECP	-1292.15309607; Eh
	2-Mar-2026	Compound 13 transition state between syn and anti conformation P	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	GENECP	-1669.09772832; Eh
	2-Mar-2026	Compound 7 transition state between syn and anti conformation PB	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	GENECP	-1252.89229572; Eh
	2-Mar-2026	Compound 11 transition state between syn and anti conformation P	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	GENECP	-1252.89062745; Eh
	2-Mar-2026	Compound 9 transition state between syn and anti conformation PB	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	GENECP	-1252.89266963; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl2F_isomer_5_1 Cl2F_isomer_5_1	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1043.71660948; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl2F_isomer_5_0 Cl2F_isomer_5_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1043.71167232; Eh
	6-Mar-2026	aldol_neutral_initial_TS11_0	Matsutani, Satoshi	GRRM; 23	Saddle	wB97XD	def2svpp	-739.263768826205; Eh	-		-
	6-Mar-2026	aldol_neutral_initial_TS4_0	Matsutani, Satoshi	GRRM; 23	Saddle	wB97XD	def2svpp	-739.264137240042; Eh	-		-

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