ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
427
428
429
430
431
432
433
...
593
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3m-cyjohnphos/3m-cyjohnphos-38-ts-yb-c1/3m-cyjohnphos-38-ts-yb-c1-orcasp 3m-cyjohnphos-38-ts-yb-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2186.65192298; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-16-t2-h2o/3t-tbujohnphos-16-t2-h2o-orcasp 3t-tbujohnphos-16-t2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2032.30172999; Eh
	26-Jan-2025	/3l-phdavephos/3l-phdavephos-25-ts-t5-t6/3l-phdavephos-25-ts-t5-t6-opt 3l-phdavephos-25-ts-t5-t6-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2315.55067442; Eh
	26-Jan-2025	/3z-adjohnphos/3z-adjohnphos-22-c5/3z-adjohnphos-22-c5-opt 3z-adjohnphos-22-c5-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2498.17934124; Eh
	26-Jan-2025	/3n-cymephos/3n-cymephos-19-t3/3n-cymephos-19-t3-opt 3n-cymephos-19-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1976.24221734; Eh
	5-May-2025	/3e-pcy3/3e-pcy3-6omee07-ts-ec2-ec3/3e-pcy3-6omee07-ts-ec2-ec3-orcasp 3e_pcy3_6omee07_ts_ec2_ec3	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2308.04812369; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-02-ts-rxt-c1/3y-me4tbuxphos-02-ts-rxt-c1-orcasp 3y-me4tbuxphos-02-ts-rxt-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2465.27063096; Eh
	5-May-2025	/3e-pcy3/3e-pcy3-6cn02-ts-rxt-c1/3e-pcy3-6cn02-ts-rxt-c1-orcasp 3e_pcy3_6cn02_ts_rxt_c1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1975.63362104; Eh
	26-Jan-2025	/3z-adjohnphos/3z-adjohnphos-25-ts-t5-t6/3z-adjohnphos-25-ts-t5-t6-orcasp 3z-adjohnphos-25-ts-t5-t6-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2495.33962080; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-57-koh-ref/3t-tbujohnphos-57-koh-ref-orcasp 3t-tbujohnphos-57-koh-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2071.02297720; Eh

Results 4291-4300 of 5927 (Search time: 0.002 seconds).