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

Search

previous
1
...
2
3
4
5
6
7
8
...
58
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2020	/freq/intermediates/Ag/I fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.06256785; eV
	6-Aug-2020	/freq/intermediates/Ag/F top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.61229329; eV
	6-Aug-2020	/freq/intermediates/Ag/F hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-104.06967521; eV
	6-Aug-2020	/freq/intermediates/Ag/F fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-104.13317020; eV
	6-Aug-2020	/freq/intermediates/Ag/Cl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-102.88941694; eV
	6-Aug-2020	/freq/intermediates/Ag/Cl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.36799447; eV
	6-Aug-2020	/freq/intermediates/Ag/Cl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.41016128; eV
	6-Aug-2020	/freq/intermediates/Ag/CI top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-107.05756339; eV
	6-Aug-2020	/freq/intermediates/Ag/CI hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-108.50590111; eV
	6-Aug-2020	/freq/intermediates/Ag/CI fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-108.55884159; eV

Results 41-50 of 574 (Search time: 0.001 seconds).