ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
511
512
513
514
515
516
517
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-09-c3/3aa-adbrettphos-09-c3-opt 3aa-adbrettphos-09-c3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2827.85493769; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-07-ts-c2-c3/3aa-adbrettphos-07-ts-c2-c3-orcasp 3aa-adbrettphos-07-ts-c2-c3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3076.41196377; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-06-c2-h2o/3aa-adbrettphos-06-c2-h2o-orcasp 3aa-adbrettphos-06-c2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3076.42224086; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-08-c3-boh3/3aa-adbrettphos-08-c3-boh3-orcasp 3aa-adbrettphos-08-c3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3076.42013962; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-09-c3/3aa-adbrettphos-09-c3-orcasp 3aa-adbrettphos-09-c3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2824.48116910; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-05-c2/3aa-adbrettphos-05-c2-orcasp 3aa-adbrettphos-05-c2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3000.16562640; 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
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-04-ts-c1-c2/3aa-adbrettphos-04-ts-c1-c2-opt 3aa-adbrettphos-04-ts-c1-c2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-3003.54810369; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-01-rxt/3aa-adbrettphos-01-rxt-opt 3aa-adbrettphos-01-rxt-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3003.58689909; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-03-c1/3aa-adbrettphos-03-c1-opt 3aa-adbrettphos-03-c1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3003.55315277; Eh

Results 5131-5140 of 5215 (Search time: 0.007 seconds).