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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-20-ts-t3-t4/3t-tbujohnphos-20-ts-t3-t4-opt 3t-tbujohnphos-20-ts-t3-t4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1782.41220158; Eh
	26-Jan-2025	/3h-ptbu3/3h-ptbu3-02-ts-rxt-c1/3h-ptbu3-02-ts-rxt-c1-opt 3h-ptbu3-02-ts-rxt-c1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1653.84437731; Eh
	5-May-2025	/3e-pcy3/3e-pcy3-6omee02-ts-ecrxt-ec1/3e-pcy3-6omee02-ts-ecrxt-ec1-orcasp 3e_pcy3_6omee02_ts_ecrxt_ec1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2231.72319399; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-25-ts-t5-t6/3x-tbubrettphos-25-ts-t5-t6-orcasp 3x-tbubrettphos-25-ts-t5-t6-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2613.28694467; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-02-ts-rxt-c1/9b-cptjohnphos-02-ts-rxt-c1-orcasp 9b-cptjohnphos-02-ts-rxt-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2032.02207516; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-18-t3-boh3/3t-tbujohnphos-18-t3-boh3-orcasp 3t-tbujohnphos-18-t3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2032.30527819; Eh
	26-Jan-2025	/3a-pph3/3a-pph3-08-c3-boh3/3a-pph3-08-c3-boh3-orcasp 3a-pph3-08-c3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1949.28575069; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-42-p1/9b-cptjohnphos-42-p1-orcasp 9b-cptjohnphos-42-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2973.04929619; Eh
	26-Jan-2025	/3f-pcy2tbu/3f-pcy2tbu-09-c3/3f-pcy2tbu-09-c3-orcasp 3f-pcy2tbu-09-c3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1630.82027121; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6ome18-t3-boh3/3t-tbujohnphos-6ome18-t3-boh3-opt 3t_tbujohnphos_6ome18_t3_boh3	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2148.80785254; Eh

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