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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-acoh/base-reactants-acoh-orcasp base-reactants-acoh-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-228.51257447; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-10-ts-naphbpinoh-ts0/base-catalysis-10-ts-naphbpinoh-ts0-opt base-catalysis-10-ts-naphbpinoh-ts0-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-870.740309703; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-02-ts-naphboh3-ts1/base-catalysis-02-ts-naphboh3-ts1-opt base-catalysis-02-ts-naphboh3-ts1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-712.863476609; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-01-naphboh3-h2o/base-catalysis-01-naphboh3-h2o-opt base-catalysis-01-naphboh3-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-712.902315447; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-00-ts-naphboh3-ts0/base-catalysis-00-ts-naphboh3-ts0-opt base-catalysis-00-ts-naphboh3-ts0-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-636.547631012; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-10-ts-naphbpinoh-ts0/base-catalysis-10-ts-naphbpinoh-ts0-orcasp base-catalysis-10-ts-naphbpinoh-ts0-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-869.86681570; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-02-ts-naphboh3-ts1/base-catalysis-02-ts-naphboh3-ts1-orcasp base-catalysis-02-ts-naphboh3-ts1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-712.26821734; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-00-ts-naphboh3-ts0/base-catalysis-00-ts-naphboh3-ts0-orcasp base-catalysis-00-ts-naphboh3-ts0-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-636.00281176; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-01-naphboh3-h2o/base-catalysis-01-naphboh3-h2o-orcasp base-catalysis-01-naphboh3-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-712.31597070; Eh
	26-Jan-2025	/9h-pme3/9h-pme3-99-lig/9h-pme3-99-lig-orcasp 9h-pme3-99-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-460.38537981; Eh

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