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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-47-oacu-ref/3t-tbujohnphos-47-oacu-ref-orcasp 3t-tbujohnphos-47-oacu-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3400.53782976; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-45-p1-h2o/3t-tbujohnphos-45-p1-h2o-orcasp 3t-tbujohnphos-45-p1-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2897.26198304; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-46-ub-ref/3t-tbujohnphos-46-ub-ref-orcasp 3t-tbujohnphos-46-ub-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2791.45847175; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-48-c-ref/3t-tbujohnphos-48-c-ref-orcasp 3t-tbujohnphos-48-c-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1395.70182403; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-40-ts-t2-p1/3t-tbujohnphos-40-ts-t2-p1-opt 3t-tbujohnphos-40-ts-t2-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-3076.10669523; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-44-ts-t3-p1/3t-tbujohnphos-44-ts-t3-p1-opt 3t-tbujohnphos-44-ts-t3-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2900.35250075; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-41-p1-boh3/3t-tbujohnphos-41-p1-boh3-opt 3t-tbujohnphos-41-p1-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3076.15971965; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-43-t3-lig/3t-tbujohnphos-43-t3-lig-opt 3t-tbujohnphos-43-t3-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2900.38212235; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-42-p1/3t-tbujohnphos-42-p1-opt 3t-tbujohnphos-42-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2824.09728387; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-40-ts-t2-p1/3t-tbujohnphos-40-ts-t2-p1-orcasp 3t-tbujohnphos-40-ts-t2-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3072.89072762; Eh

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