ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
329
330
331
332
333
334
335
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-72-t4-boh3h2o/3y-me4tbuxphos-72-t4-boh3h2o-opt 3y-me4tbuxphos-72-t4-boh3h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2620.81933223; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-70-t4ob-2h2o/3y-me4tbuxphos-70-t4ob-2h2o-opt 3y-me4tbuxphos-70-t4ob-2h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2620.81707287; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-69-t4-boh3/3y-me4tbuxphos-69-t4-boh3-opt 3y-me4tbuxphos-69-t4-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2544.51953877; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-71-ts-t4ob-t4-6mps/3y-me4tbuxphos-71-ts-t4ob-t4-6mps-orcasp 3y-me4tbuxphos-71-ts-t4ob-t4-6mps-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2617.78131268; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-72-t4-boh3h2o/3y-me4tbuxphos-72-t4-boh3h2o-orcasp 3y-me4tbuxphos-72-t4-boh3h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2617.84406655; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-70-t4ob-2h2o/3y-me4tbuxphos-70-t4ob-2h2o-orcasp 3y-me4tbuxphos-70-t4ob-2h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2617.82977647; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-69-t4-boh3/3y-me4tbuxphos-69-t4-boh3-orcasp 3y-me4tbuxphos-69-t4-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2541.59171425; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-68-ts-t4ob-t4-4mps/3y-me4tbuxphos-68-ts-t4ob-t4-4mps-opt 3y-me4tbuxphos-68-ts-t4ob-t4-4mps-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2544.47614568; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-66-ts-t2-t4ob/3y-me4tbuxphos-66-ts-t2-t4ob-opt 3y-me4tbuxphos-66-ts-t2-t4ob-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2468.17062391; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-67-t4ob-h2o/3y-me4tbuxphos-67-t4ob-h2o-opt 3y-me4tbuxphos-67-t4ob-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2544.52613749; Eh

Results 3311-3320 of 5215 (Search time: 0.006 seconds).