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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2025	/3e-pcy3/3e-pcy3-6omee19-et3-bpinoh/3e-pcy3-6omee19-et3-bpinoh-opt 3e_pcy3_6omee19_et3_bpinoh	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2310.55451173; Eh
	26-Jan-2025	/9d-mejohnphos/9d-mejohnphos-17-ts-t2-t3/9d-mejohnphos-17-ts-t2-t3-opt 9d-mejohnphos-17-ts-t2-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1799.08933887; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-43-t3-lig/3j-iprjohnphos-43-t3-lig-opt 3j-iprjohnphos-43-t3-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2743.49284087; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn10-ts-c3-c4/3t-tbujohnphos-6cn10-ts-c3-c4-orcasp 3t_tbujohnphos_6cn10_ts_c3_c4	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1872.33991452; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-30-ts-t2-xb/3y-me4tbuxphos-30-ts-t2-xb-orcasp 3y-me4tbuxphos-30-ts-t2-xb-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2465.29148125; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-39-t2-lig/3j-iprjohnphos-39-t2-lig-orcasp 3j-iprjohnphos-39-t2-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2916.27886737; Eh
	26-Jan-2025	/3k-phjohnphos/3k-phjohnphos-01-rxt/3k-phjohnphos-01-rxt-orcasp 3k-phjohnphos-01-rxt-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2103.30508283; Eh
	26-Jan-2025	/3o-davephos/3o-davephos-01-rxt/3o-davephos-01-rxt-orcasp 3o-davephos-01-rxt-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2243.95698551; Eh
	26-Jan-2025	/3a-pph3/3a-pph3-03-c1/3a-pph3-03-c1-orcasp 3a-pph3-03-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1872.95601599; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-33-ts-rxt-ya/3j-iprjohnphos-33-ts-rxt-ya-opt 3j-iprjohnphos-33-ts-rxt-ya-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1879.70598298; Eh

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