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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-62-t3ob-h2o/3w-tbuxphos-62-t3ob-h2o-opt 3w-tbuxphos-62-t3ob-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2387.60020117; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-61-t3ob-2h2o/3w-tbuxphos-61-t3ob-2h2o-opt 3w-tbuxphos-61-t3ob-2h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2463.90665694; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-59-t2-2h2o/3w-tbuxphos-59-t2-2h2o-opt 3w-tbuxphos-59-t2-2h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2463.90142200; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-60-ts-t2-t3ob/3w-tbuxphos-60-ts-t2-t3ob-orcasp 3w-tbuxphos-60-ts-t2-t3ob-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2461.12463544; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-61-t3ob-2h2o/3w-tbuxphos-61-t3ob-2h2o-orcasp 3w-tbuxphos-61-t3ob-2h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2461.15737996; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-62-t3ob-h2o/3w-tbuxphos-62-t3ob-h2o-orcasp 3w-tbuxphos-62-t3ob-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2384.90800509; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-59-t2-2h2o/3w-tbuxphos-59-t2-2h2o-orcasp 3w-tbuxphos-59-t2-2h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2461.14615373; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-38-ts-yb-c1/3w-tbuxphos-38-ts-yb-c1-orcasp 3w-tbuxphos-38-ts-yb-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2384.85158726; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-36-ts-rxt-yb/3w-tbuxphos-36-ts-rxt-yb-opt 3w-tbuxphos-36-ts-rxt-yb-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2387.56445697; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-38-ts-yb-c1/3w-tbuxphos-38-ts-yb-c1-opt 3w-tbuxphos-38-ts-yb-c1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2387.55438440; Eh

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