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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/base-catalysis/base-catalysis-11-naphbpinoh-h2o/base-catalysis-11-naphbpinoh-h2o-opt base-catalysis-11-naphbpinoh-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-947.103674661; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-74-t5ob-rh/3y-me4tbuxphos-74-t5ob-rh-opt 3y-me4tbuxphos-74-t5ob-rh-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2468.20837234; Eh
	26-Jan-2025	/3m-cyjohnphos/3m-cyjohnphos-85-c2dim/3m-cyjohnphos-85-c2dim-opt 3m-cyjohnphos-85-c2dim-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3721.53010160; Eh
	26-Jan-2025	/unlig-pdoh2/unlig-pdoh2-17-ts-int6c-int7c/unlig-pdoh2-17-ts-int6c-int7c-orcasp unlig-pdoh2-17-ts-int6c-int7c-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1475.71073644; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6omee18-ts-et2-et3/3t-tbujohnphos-6omee18-ts-et2-et3-orcasp 3t_tbujohnphos_6omee18_ts_et2_et3	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2380.37694052; Eh
	26-Jan-2025	/3g-ptbu2cy/3g-ptbu2cy-08-c3-boh3/3g-ptbu2cy-08-c3-boh3-orcasp 3g-ptbu2cy-08-c3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1805.57148496; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-01-rxt/3j-iprjohnphos-01-rxt-orcasp 3j-iprjohnphos-01-rxt-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1877.71088353; Eh
	26-Jan-2025	/3d-pcpt3/3d-pcpt3-05-c2/3d-pcpt3-05-c2-orcasp 3d-pcpt3-05-c2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1766.14305006; Eh
	26-Jan-2025	/3h-ptbu3/3h-ptbu3-22-c5/3h-ptbu3-22-c5-orcasp 3h-ptbu3-22-c5-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1728.35973110; Eh
	26-Jan-2025	/3d-pcpt3/3d-pcpt3-12-ts-rxt-t1/3d-pcpt3-12-ts-rxt-t1-opt 3d-pcpt3-12-ts-rxt-t1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1767.98815161; Eh

Results 4671-4680 of 5927 (Search time: 0.008 seconds).