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

Search

previous
1
...
169
170
171
172
173
174
175
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2018	/Suggested_Synthesis_Theosilane T2_without_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1209.16081017; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane T5	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1453.51277924; Eh
	9-Nov-2018	/vacuum/complexes ofenorhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-721.642389187; Eh
	14-Jul-2015	radicalP5_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.224460229; Eh
	14-Jul-2015	radicalP5_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.225112580; Eh
	14-Jul-2015	rT3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.952025543; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane I1_without_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-981.335673666; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane T2_with_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1383.67060998; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane T3_without_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1209.21927339; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane T1_with_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-3057.74014224; Eh

Results 1711-1720 of 12842 (Search time: 0.004 seconds).