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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-44-ts-t3-p1/9b-cptjohnphos-44-ts-t3-p1-opt 9b-cptjohnphos-44-ts-t3-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-3052.56121798; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-45-p1-h2o/9b-cptjohnphos-45-p1-h2o-opt 9b-cptjohnphos-45-p1-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3052.59690022; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-43-t3-lig/9b-cptjohnphos-43-t3-lig-opt 9b-cptjohnphos-43-t3-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3052.58029855; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-42-p1/9b-cptjohnphos-42-p1-opt 9b-cptjohnphos-42-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2976.29648544; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-99-lig/9b-cptjohnphos-99-lig-opt 9b-cptjohnphos-99-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1194.01849777; 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
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-45-p1-h2o/9b-cptjohnphos-45-p1-h2o-orcasp 9b-cptjohnphos-45-p1-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3049.30836617; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-43-t3-lig/9b-cptjohnphos-43-t3-lig-orcasp 9b-cptjohnphos-43-t3-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3049.30340703; 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	/9b-cptjohnphos/9b-cptjohnphos-40-ts-t2-p1/9b-cptjohnphos-40-ts-t2-p1-opt 9b-cptjohnphos-40-ts-t2-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-3228.30784629; Eh

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