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

Search

previous
1
...
1906
1907
1908
1909
1910
1911
1912
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Feb-2016	LO-ts3b-cis-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-3793.32355642; Eh
	12-Feb-2019	sa-RhIr-2411	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-375.34641580; eV
	17-Oct-2017	/reactions/ni fs_b02	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-696.72407101; eV
	17-Oct-2017	/reactions/ni fs_b01	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.16295455; eV
	17-Oct-2017	/reactions/ni fs_a21	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-536.07057560; eV
	28-Nov-2017	ol-PdCo-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-265.28308326; eV
	11-Apr-2021	/N_sulfonylguanidine n3-i3-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1338.54267016; Eh
	29-Feb-2016	TS3b-cis-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-31G*	-3792.31209129; Eh
	28-Nov-2017	ol-RuCo-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-407.58422614; eV
	3-Nov-2017	Pd-TPP_y	Fako, Edvin	vasp; 5.4.4; 22Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-594.63499088; eV

Results 19081-19090 of 104510 (Search time: 0.012 seconds).