ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
475
476
477
478
479
480
481
...
593
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-05-c2/9b-cptjohnphos-05-c2-opt 9b-cptjohnphos-05-c2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2034.30620083; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-83-ts-t2-t3-6mps/3y-me4tbuxphos-83-ts-t2-t3-6mps-orcasp 3y-me4tbuxphos-83-ts-t2-t3-6mps-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-TZVPP/C	-2617.76809182; Eh
	26-Jan-2025	/3l-phdavephos/3l-phdavephos-04-ts-c1-c2/3l-phdavephos-04-ts-c1-c2-orcasp 3l-phdavephos-04-ts-c1-c2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2236.81082479; Eh
	26-Jan-2025	/3q-ruphos/3q-ruphos-06-c2-h2o/3q-ruphos-06-c2-h2o-orcasp 3q-ruphos-06-c2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2571.90047370; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6cn05-c2/3h-ptbu3-6cn05-c2-orcasp 3h_ptbu3_6cn05_c2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1744.12170190; Eh
	26-Jan-2025	/3m-cyjohnphos/3m-cyjohnphos-22-c5/3m-cyjohnphos-22-c5-orcasp 3m-cyjohnphos-22-c5-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2186.72101125; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-19-t3/3j-iprjohnphos-19-t3-orcasp 3j-iprjohnphos-19-t3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1702.05424943; Eh
	26-Jan-2025	/3c-pipr3/3c-pipr3-22-c5/3c-pipr3-22-c5-orcasp 3c-pipr3-22-c5-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1610.87073720; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-64-ts-t3ob-t4ob/3w-tbuxphos-64-ts-t3ob-t4ob-opt 3w-tbuxphos-64-ts-t3ob-t4ob-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2311.26833523; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-02-ts-rxt-c1/3aa-adbrettphos-02-ts-rxt-c1-opt 3aa-adbrettphos-02-ts-rxt-c1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-3003.54340697; Eh

Results 4771-4780 of 5927 (Search time: 0.003 seconds).