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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/unlig-pdoh2/unlig-pdoh2-23-int5t/unlig-pdoh2-23-int5t-opt unlig-pdoh2-23-int5t-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1401.06923495; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn01-rxt/3t-tbujohnphos-6cn01-rxt-opt 3t_tbujohnphos_6cn01_rxt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2050.25904188; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome06-c2-h2o/3m-cyjohnphos-6ome06-c2-h2o-orcasp 3m_cyjohnphos_6ome06_c2_h2o	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2300.95785347; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cn16-t2-h2o/3m-cyjohnphos-6cn16-t2-h2o-orcasp 3m_cyjohnphos_6cn16_t2_h2o	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2278.69990574; Eh
	26-Jan-2025	/3s-brettphos/3s-brettphos-17-ts-t2-t3/3s-brettphos-17-ts-t2-t3-orcasp 3s-brettphos-17-ts-t2-t3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2767.69896765; Eh
	26-Jan-2025	/3n-cymephos/3n-cymephos-04-ts-c1-c2/3n-cymephos-04-ts-c1-c2-orcasp 3n-cymephos-04-ts-c1-c2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2149.57230845; Eh
	26-Jan-2025	/3b-potol3/3b-potol3-21-t4/3b-potol3-21-t4-orcasp 3b-potol3-21-t4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1814.85144885; Eh
	26-Jan-2025	/3g-ptbu2cy/3g-ptbu2cy-99-lig/3g-ptbu2cy-99-lig-orcasp 3g-ptbu2cy-99-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-890.13433577; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn10-ts-c3-c4/3t-tbujohnphos-6cn10-ts-c3-c4-opt 3t_tbujohnphos_6cn10_ts_c3_c4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1874.48413491; Eh
	5-May-2025	/3e-pcy3/3e-pcy3-6ome20-ts-t3-t4/3e-pcy3-6ome20-ts-t3-t4-opt 3e_pcy3_6ome20_ts_t3_t4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1824.27384082; Eh

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