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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2024	/2e-pipr3/2e-pipr3-15-t2 2e-pipr3-15-t2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1534.58484350; Eh
	7-Aug-2024	/9a-cbujohnphos/9a-cbujohnphos-40-ts-t2-p1 9a-cbujohnphos-40-ts-t2-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-3071.26519577; Eh
	7-Aug-2024	/2k-pad3/2k-pad3-12-ts-rxt-t1 2k-pad3-12-ts-rxt-t1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2349.35954780; Eh
	6-Aug-2024	/2j-ptbu3/2j-ptbu3-13-t1 2j-ptbu3-13-t1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1653.86093944; Eh
	6-Aug-2024	/2h-pcy2tbu/2h-pcy2tbu-02-ts-rxt-c1 2h-pcy2tbu-02-ts-rxt-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1806.44004025; Eh
	6-Aug-2024	/2e-pipr3/2e-pipr3-04-ts-c1-c2 2e-pipr3-04-ts-c1-c2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1534.55728389; Eh
	6-Aug-2024	/3d-cyjohnphos/3d-cyjohnphos-56-oh-ref 3d-cyjohnphos-56-oh-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1625.82134082; Eh
	6-Aug-2024	/2e-pipr3/2e-pipr3-43-t3-lig 2e-pipr3-43-t3-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2054.35892730; Eh
	6-Aug-2024	/3l-tbumephos/3l-tbumephos-22-c5 3l-tbumephos-22-c5-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2071.49531585; Eh
	6-Aug-2024	/3i-xphos/3i-xphos-34-ya 3i-xphos-34-ya-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2463.00235598; Eh

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