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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3z-adjohnphos/3z-adjohnphos-04-ts-c1-c2/3z-adjohnphos-04-ts-c1-c2-opt 3z-adjohnphos-04-ts-c1-c2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2421.83073393; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee05-ec2/3h-ptbu3-6omee05-ec2-opt 3h_ptbu3_6omee05_ec2	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2002.41180961; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6ome13-t1/3h-ptbu3-6ome13-t1-opt 3h_ptbu3_6ome13_t1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1768.17822742; Eh
	26-Jan-2025	/3u-tbumephos/3u-tbumephos-09-c3/3u-tbumephos-09-c3-opt 3u-tbumephos-09-c3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1821.69250502; Eh
	26-Jan-2025	/unlig-pdoh2/unlig-pdoh2-27-ts-int6t-int7t/unlig-pdoh2-27-ts-int6t-int7t-orcasp unlig-pdoh2-27-ts-int6t-int7t-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1475.68172157; Eh
	26-Jan-2025	/unlig-pdoh2/unlig-pdoh2-22-ts-int2-int5t/unlig-pdoh2-22-ts-int2-int5t-orcasp unlig-pdoh2-22-ts-int2-int5t-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1399.43422617; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cn02-ts-rxt-c1/3m-cyjohnphos-6cn02-ts-rxt-c1-orcasp 3m_cyjohnphos_6cn02_ts_rxt_c1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2202.39661718; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6cn04-ts-c1-c2/3h-ptbu3-6cn04-ts-c1-c2-orcasp 3h_ptbu3_6cn04_ts_c1_c2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1744.04500791; Eh
	26-Jan-2025	/3b-potol3/3b-potol3-10-ts-c3-c4/3b-potol3-10-ts-c3-c4-orcasp 3b-potol3-10-ts-c3-c4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1814.80693479; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6ome14-ts-t1-t2/3t-tbujohnphos-6ome14-ts-t1-t2-opt 3t_tbujohnphos_6ome14_ts_t1_t2	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2072.47645036; Eh

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