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

Search

previous
1
...
828
829
830
831
832
833
834
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3ooh-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-345.485491134; Eh
	18-Apr-2017	/M06-2X 1Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1422.92095120; Eh
	18-Apr-2017	/M06-2X Int2_2_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1155.21472491; Eh
	18-Apr-2017	/M06-2X TS1_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-961.758810942; Eh
	18-Apr-2017	/M06-2X NaFBOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-862.393278087; Eh
	18-Apr-2017	/M06-2X BnepBenzene	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-524.909085165; Eh
	18-Apr-2017	/M06-2X BnepF	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-393.200332028; Eh
	18-Apr-2017	/M06-2X NaOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-469.140307082; Eh
	18-Apr-2017	/M06-2X NaF	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-262.109393011; Eh
	18-Apr-2017	/M06-2X TS2_without_OPh_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1548.43182484; Eh

Results 8301-8310 of 103542 (Search time: 0.007 seconds).