ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
155
156
157
158
159
160
161
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-ph3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.6581374; Eh
	8-Nov-2018	/water/complexes aq-ph3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1859.605479; Eh
	8-Nov-2018	/water/complexes aq-ph3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1265.3706925; Eh
	11-Apr-2021	/Diels_Alder add-h9-ma-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-919.102088005; Eh
	8-Nov-2018	/water/complexes aq-ohhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-252.4743325; Eh
	9-Nov-2018	/vacuum/complexes omealcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1738.52589862; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSiPh3_in_toluene HSiPh3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-985.021479610; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-31+G(D,P)	-711.975998603; Eh
	22-May-2018	Phenylphospholane_oxide_Toluene_373K	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-805.491774221; Eh
	8-Nov-2018	/water/complexes aq-ohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-251.9429745; Eh

Results 1571-1580 of 12842 (Search time: 0.005 seconds).