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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cn11-c4/3m-cyjohnphos-6cn11-c4-orcasp 3m_cyjohnphos_6cn11_c4	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2026.75108697; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-14-ts-t1-t2/3j-iprjohnphos-14-ts-t1-t2-opt 3j-iprjohnphos-14-ts-t1-t2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1879.70647970; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-75-t5ob/3y-me4tbuxphos-75-t5ob-opt 3y-me4tbuxphos-75-t5ob-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2083.04687974; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-68-ts-t4ob-t4-4mps/3w-tbuxphos-68-ts-t4ob-t4-4mps-orcasp 3w-tbuxphos-68-ts-t4ob-t4-4mps-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2384.85078467; Eh
	26-Jan-2025	/3v-tbudavephos/3v-tbudavephos-16-t2-h2o/3v-tbudavephos-16-t2-h2o-orcasp 3v-tbudavephos-16-t2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2165.83177567; Eh
	26-Jan-2025	/base-reactants/base-reactants-naphbpinoh/base-reactants-naphbpinoh-orcasp base-reactants-naphbpinoh-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-869.92237862; Eh
	26-Jan-2025	/3m-cyjohnphos/3m-cyjohnphos-48-c-ref/3m-cyjohnphos-48-c-ref-orcasp 3m-cyjohnphos-48-c-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1550.07678994; Eh
	5-May-2025	/3e-pcy3/3e-pcy3-6omee12-etrxt/3e-pcy3-6omee12-etrxt-orcasp 3e_pcy3_6omee12_etrxt	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2231.75133997; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6ome11-c4/3h-ptbu3-6ome11-c4-orcasp 3h_ptbu3_6ome11_c4	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1590.62829533; Eh
	5-May-2025	/3e-pcy3/3e-pcy3-6cn03-c1/3e-pcy3-6cn03-c1-orcasp 3e_pcy3_6cn03_c1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1975.64016678; Eh

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