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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/9f-pcpr3/9f-pcpr3-43-t3-lig/9f-pcpr3-43-t3-lig-opt 9f-pcpr3-43-t3-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2049.07654657; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6omee13-ts-etrxt-et1/3h-ptbu3-6omee13-ts-etrxt-et1-orcasp 3h_ptbu3_6omee13_ts_etrxt_et1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2000.15099874; Eh
	26-Jan-2025	/base-reactants/base-reactants-k3po4h2o/base-reactants-k3po4h2o-orcasp base-reactants-k3po4h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-TZVPP/C	-2516.69338002; Eh
	26-Jan-2025	/9a-cbujohnphos/9a-cbujohnphos-12-ts-rxt-t1/9a-cbujohnphos-12-ts-rxt-t1-orcasp 9a-cbujohnphos-12-ts-rxt-t1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1953.62376261; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn18-t3-boh3/3t-tbujohnphos-6cn18-t3-boh3-orcasp 3t_tbujohnphos_6cn18_t3_boh3	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2124.31349036; Eh
	26-Jan-2025	/3e-pcy3/3e-pcy3-54-cw-ref/3e-pcy3-54-cw-ref-orcasp 3e-pcy3-54-cw-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1399.58836488; Eh
	26-Jan-2025	/3z-adjohnphos/3z-adjohnphos-01-rxt/3z-adjohnphos-01-rxt-orcasp 3z-adjohnphos-01-rxt-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2419.11514706; Eh
	26-Jan-2025	/3d-pcpt3/3d-pcpt3-11-c4/3d-pcpt3-11-c4-orcasp 3d-pcpt3-11-c4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1590.42471569; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cne05-ec2/3t-tbujohnphos-6cne05-ec2-opt 3t_tbujohnphos_6cne05_ec2	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2284.48055658; Eh
	26-Jan-2025	/3d-pcpt3/3d-pcpt3-25-ts-t5-t6/3d-pcpt3-25-ts-t5-t6-opt 3d-pcpt3-25-ts-t5-t6-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1844.29466486; Eh

Results 2731-2740 of 5927 (Search time: 0.004 seconds).