ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
351
352
353
354
355
356
357
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-82-ts-t2-t3-4mps/3w-tbuxphos-82-ts-t2-t3-4mps-orcasp 3w-tbuxphos-82-ts-t2-t3-4mps-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-TZVPP/C	-2384.83385522; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-81-t6ob-1h2o/3w-tbuxphos-81-t6ob-1h2o-orcasp 3w-tbuxphos-81-t6ob-1h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2076.50181047; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-99-lig/3w-tbuxphos-99-lig-orcasp 3w-tbuxphos-99-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1469.50736023; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-77-ts-t5ob-t6ob-4mps/3w-tbuxphos-77-ts-t5ob-t6ob-4mps-opt 3w-tbuxphos-77-ts-t5ob-t6ob-4mps-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2002.41378672; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-80-ts-t5ob-t6ob-6mps/3w-tbuxphos-80-ts-t5ob-t6ob-6mps-opt 3w-tbuxphos-80-ts-t5ob-t6ob-6mps-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2078.73711756; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-79-t5ob-2h2o/3w-tbuxphos-79-t5ob-2h2o-opt 3w-tbuxphos-79-t5ob-2h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2078.75380331; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-78-t6ob/3w-tbuxphos-78-t6ob-opt 3w-tbuxphos-78-t6ob-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2002.45294923; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-77-ts-t5ob-t6ob-4mps/3w-tbuxphos-77-ts-t5ob-t6ob-4mps-orcasp 3w-tbuxphos-77-ts-t5ob-t6ob-4mps-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2000.18569532; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-80-ts-t5ob-t6ob-6mps/3w-tbuxphos-80-ts-t5ob-t6ob-6mps-orcasp 3w-tbuxphos-80-ts-t5ob-t6ob-6mps-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2076.45580821; Eh
	26-Jan-2025	/3w-tbuxphos/3w-tbuxphos-76-t5ob-1h2o/3w-tbuxphos-76-t5ob-1h2o-orcasp 3w-tbuxphos-76-t5ob-1h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2000.24222346; Eh

Results 3531-3540 of 5215 (Search time: 0.005 seconds).