ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
346
347
348
349
350
351
352
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-18-t3-boh3/3x-tbubrettphos-18-t3-boh3-opt 3x-tbubrettphos-18-t3-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2616.20070196; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-21-t4/3x-tbubrettphos-21-t4-opt 3x-tbubrettphos-21-t4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2364.15897377; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-19-t3/3x-tbubrettphos-19-t3-opt 3x-tbubrettphos-19-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2364.17010554; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-17-ts-t2-t3/3x-tbubrettphos-17-ts-t2-t3-orcasp 3x-tbubrettphos-17-ts-t2-t3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2613.29909028; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-20-ts-t3-t4/3x-tbubrettphos-20-ts-t3-t4-orcasp 3x-tbubrettphos-20-ts-t3-t4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2361.36967081; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-18-t3-boh3/3x-tbubrettphos-18-t3-boh3-orcasp 3x-tbubrettphos-18-t3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2613.32675275; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-19-t3/3x-tbubrettphos-19-t3-orcasp 3x-tbubrettphos-19-t3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2361.40942378; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-21-t4/3x-tbubrettphos-21-t4-orcasp 3x-tbubrettphos-21-t4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2361.39918977; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-17-ts-t2-t3/3x-tbubrettphos-17-ts-t2-t3-opt 3x-tbubrettphos-17-ts-t2-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2616.17570713; Eh
	26-Jan-2025	/3x-tbubrettphos/3x-tbubrettphos-14-ts-t1-t2/3x-tbubrettphos-14-ts-t1-t2-opt 3x-tbubrettphos-14-ts-t1-t2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2539.88807043; Eh

Results 3481-3490 of 5215 (Search time: 0.002 seconds).