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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/9h-pme3/9h-pme3-15-t2/9h-pme3-15-t2-orcasp 9h-pme3-15-t2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1299.54315098; Eh
	26-Jan-2025	/3v-tbudavephos/3v-tbudavephos-08-c3-boh3/3v-tbudavephos-08-c3-boh3-opt 3v-tbudavephos-08-c3-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2168.22864401; Eh
	26-Jan-2025	/3p-sphos/3p-sphos-14-ts-t1-t2/3p-sphos-14-ts-t1-t2-opt 3p-sphos-14-ts-t1-t2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2341.36915901; Eh
	26-Jan-2025	/base-reactants/base-reactants-k2hpo4/base-reactants-k2hpo4-opt base-reactants-k2hpo4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1841.55166159; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne08-ec3-bpinoh/3m-cyjohnphos-6cne08-ec3-bpinoh-orcasp 3m_cyjohnphos_6cne08_ec3_bpinoh	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2512.60400603; Eh
	26-Jan-2025	/3h-ptbu3/3h-ptbu3-02-ts-rxt-c1/3h-ptbu3-02-ts-rxt-c1-orcasp 3h-ptbu3-02-ts-rxt-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1652.05185959; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-74-t5ob-rh/3w-tbuxphos-74-t5ob-rh-orcasp 3w-tbuxphos-74-t5ob-rh-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2308.65154295; Eh
	26-Jan-2025	/3o-davephos/3o-davephos-06-c2-h2o/3o-davephos-06-c2-h2o-orcasp 3o-davephos-06-c2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2320.25463306; Eh
	26-Jan-2025	/3u-tbumephos/3u-tbumephos-11-c4/3u-tbumephos-11-c4-orcasp 3u-tbumephos-11-c4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1819.53329980; Eh
	26-Jan-2025	/3m-cyjohnphos/3m-cyjohnphos-99-lig/3m-cyjohnphos-99-lig-orcasp 3m-cyjohnphos-99-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1271.28951267; Eh

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