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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-6cn04-ts-c1-c2/3m-cyjohnphos-6cn04-ts-c1-c2-orcasp 3m_cyjohnphos_6cn04_ts_c1_c2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2202.40110960; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cn01-rxt/3m-cyjohnphos-6cn01-rxt-orcasp 3m_cyjohnphos_6cn01_rxt	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2202.43377658; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cn03-c1/3m-cyjohnphos-6cn03-c1-orcasp 3m_cyjohnphos_6cn03_c1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2202.40206852; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee19-et3-bpinoh/3h-ptbu3-6omee19-et3-bpinoh-opt 3h_ptbu3_6omee19_et3_bpinoh	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2078.69436070; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee18-ts-et2-et3/3h-ptbu3-6omee18-ts-et2-et3-opt 3h_ptbu3_6omee18_ts_et2_et3	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2078.66157118; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee17-et2-h2o/3h-ptbu3-6omee17-et2-h2o-opt 3h_ptbu3_6omee17_et2_h2o	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2078.67975783; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-12-ts-rxt-t1/3m-cyjohnphos-12-ts-rxt-t1-opt 3m_cyjohnphos_12_ts_rxt_t1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2112.72946083; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee18-ts-et2-et3/3h-ptbu3-6omee18-ts-et2-et3-orcasp 3h_ptbu3_6omee18_ts_et2_et3	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2076.41471759; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee19-et3-bpinoh/3h-ptbu3-6omee19-et3-bpinoh-orcasp 3h_ptbu3_6omee19_et3_bpinoh	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2076.43713128; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee17-et2-h2o/3h-ptbu3-6omee17-et2-h2o-orcasp 3h_ptbu3_6omee17_et2_h2o	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2076.43058291; Eh

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