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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-boh4/base-reactants-boh4-orcasp base-reactants-boh4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-327.65348216; Eh
	26-Jan-2025	/base-reactants/base-reactants-boh3/base-reactants-boh3-orcasp base-reactants-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-251.92661467; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-11-naphbpinoh-h2o/base-catalysis-11-naphbpinoh-h2o-opt base-catalysis-11-naphbpinoh-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-947.103674661; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-12-ts-naphbpinoh-ts1/base-catalysis-12-ts-naphbpinoh-ts1-opt base-catalysis-12-ts-naphbpinoh-ts1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-947.055966546; Eh
	26-Jan-2025	/base-reactants/base-reactants-14dioxane/base-reactants-14dioxane-opt base-reactants-14dioxane-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-307.069842281; Eh
	26-Jan-2025	/base-reactants/base-reactants-binaph/base-reactants-binaph-opt base-reactants-binaph-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-769.110452344; Eh
	26-Jan-2025	/base-reactants/base-reactants-acoh/base-reactants-acoh-opt base-reactants-acoh-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-228.664375886; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-11-naphbpinoh-h2o/base-catalysis-11-naphbpinoh-h2o-orcasp base-catalysis-11-naphbpinoh-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-946.18830788; Eh
	26-Jan-2025	/base-catalysis/base-catalysis-12-ts-naphbpinoh-ts1/base-catalysis-12-ts-naphbpinoh-ts1-orcasp base-catalysis-12-ts-naphbpinoh-ts1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-946.12874458; Eh
	26-Jan-2025	/base-reactants/base-reactants-14dioxane/base-reactants-14dioxane-orcasp base-reactants-14dioxane-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-306.81026236; Eh

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