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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/base-reactants/base-reactants-pdoac2/base-reactants-pdoac2-opt base-reactants-pdoac2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-584.088870144; Eh
	26-Jan-2025	/3h-ptbu3/3h-ptbu3-15-t2/3h-ptbu3-15-t2-opt 3h-ptbu3-15-t2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1653.87323846; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-44-ts-t3-p1/3j-iprjohnphos-44-ts-t3-p1-orcasp 3j-iprjohnphos-44-ts-t3-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2740.57857844; Eh
	26-Jan-2025	/9f-pcpr3/9f-pcpr3-14-ts-t1-t2/9f-pcpr3-14-ts-t1-t2-orcasp 9f-pcpr3-14-ts-t1-t2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1530.92471327; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cne03-ec1/3t-tbujohnphos-6cne03-ec1-orcasp 3t_tbujohnphos_6cne03_ec1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2281.88621201; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cne15-ts-et1-et2/3t-tbujohnphos-6cne15-ts-et1-et2-opt 3t_tbujohnphos_6cne15_ts_et1_et2	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2284.43205496; Eh
	26-Jan-2025	/3r-xphos/3r-xphos-38-ts-yb-c1/3r-xphos-38-ts-yb-c1-opt 3r-xphos-38-ts-yb-c1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2542.13127169; Eh
	26-Jan-2025	/unlig-pdoh2/unlig-pdoh2-26-int6t-h2o/unlig-pdoh2-26-int6t-h2o-orcasp unlig-pdoh2-26-int6t-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1475.69283723; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-84-t3-boh3h2o/3x-tbubrettphos-84-t3-boh3h2o-orcasp 3x-tbubrettphos-84-t3-boh3h2o	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2689.58823500; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-44-ts-t3-p1/9b-cptjohnphos-44-ts-t3-p1-orcasp 9b-cptjohnphos-44-ts-t3-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3049.27167997; Eh

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