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

Search

previous
1
...
7
8
9
10
11
12
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_7_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_4_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07254703; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_5_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07492476; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_6_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07512313; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_0_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07446099; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_1_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07673551; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_2_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07722161; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_3_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07394464; Eh
	26-Nov-2021	/Optimized_Structures Molecule_(R)-2,3-allenol	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	DEF2TZV	-1407.07437137; Eh
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_9_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-

Results 91-100 of 114 (Search time: 0.001 seconds).