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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/unlig-pdoh2/unlig-pdoh2-15-int6c/unlig-pdoh2-15-int6c-orcasp unlig-pdoh2-15-int6c-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1399.48216371; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-01-rxt/3aa-adbrettphos-01-rxt-orcasp 3aa-adbrettphos-01-rxt-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3000.13689070; Eh
	26-Jan-2025	/9d-mejohnphos/9d-mejohnphos-03-c1/9d-mejohnphos-03-c1-orcasp 9d-mejohnphos-03-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1720.99807808; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-28-xa/3w-tbuxphos-28-xa-orcasp 3w-tbuxphos-28-xa-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2056.70206679; Eh
	26-Jan-2025	/3u-tbumephos/3u-tbumephos-13-t1/3u-tbumephos-13-t1-opt 3u-tbumephos-13-t1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1997.40838949; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6omee19-et3-bpinoh/3t-tbujohnphos-6omee19-et3-bpinoh-orcasp 3t_tbujohnphos_6omee19_et3_bpinoh	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2380.39779927; Eh
	26-Jan-2025	/3u-tbumephos/3u-tbumephos-07-ts-c2-c3/3u-tbumephos-07-ts-c2-c3-orcasp 3u-tbumephos-07-ts-c2-c3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2071.50126189; Eh
	26-Jan-2025	/3d-pcpt3/3d-pcpt3-23-ts-c5-c6/3d-pcpt3-23-ts-c5-c6-orcasp 3d-pcpt3-23-ts-c5-c6-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1842.32659585; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-75-t5ob/3x-tbubrettphos-75-t5ob-orcasp 3x-tbubrettphos-75-t5ob-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2152.39742514; Eh
	26-Jan-2025	/3h-ptbu3/3h-ptbu3-85-c2dim/3h-ptbu3-85-c2dim-orcasp 3h-ptbu3-85-c2dim-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2800.36393487; Eh

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