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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-00-lpdoh2/9b-cptjohnphos-00-lpdoh2-orcasp 9b-cptjohnphos-00-lpdoh2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2943.49550732; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-01-rxt/9b-cptjohnphos-01-rxt-orcasp 9b-cptjohnphos-01-rxt-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2032.05573012; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-99-lig/9a-cbujohnphos-99-lig-orcasp 9a-cbujohnphos-99-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1114.50155728; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-44-ts-t3-p1/9a-cbujohnphos-44-ts-t3-p1-opt 9a-cbujohnphos-44-ts-t3-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2895.51306630; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-41-p1-boh3/9a-cbujohnphos-41-p1-boh3-opt 9a-cbujohnphos-41-p1-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3071.33312335; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-43-t3-lig/9a-cbujohnphos-43-t3-lig-opt 9a-cbujohnphos-43-t3-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2895.52892300; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-42-p1/9a-cbujohnphos-42-p1-opt 9a-cbujohnphos-42-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2819.26442620; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-44-ts-t3-p1/9a-cbujohnphos-44-ts-t3-p1-orcasp 9a-cbujohnphos-44-ts-t3-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point; Single point	-	def2-QZVPP; def2-QZVPP/C	-2892.44075819; -2892.44077112; Eh; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-40-ts-t2-p1/9a-cbujohnphos-40-ts-t2-p1-orcasp 9a-cbujohnphos-40-ts-t2-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3068.10968904; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-41-p1-boh3/9a-cbujohnphos-41-p1-boh3-orcasp 9a-cbujohnphos-41-p1-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3068.16974935; Eh

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