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

Search

previous
1
...
1549
1550
1551
1552
1553
1554
1555
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes fenilclznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-958.311322831; Eh
	9-Nov-2018	/vacuum/complexes cchticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1515.88294719; Eh
	12-Feb-2019	sa-IrPt-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-412.10886628; eV
	12-Feb-2019	sa-IrPd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-411.17325763; eV
	12-Feb-2019	sa-IrRe-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-419.07702735; eV
	9-Nov-2018	/vacuum/complexes chch2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-892.827976327; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-820.9918373; Eh
	9-Nov-2018	/vacuum/complexes chch2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2426.44986546; Eh
	9-Nov-2018	/vacuum/complexes fenilclpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1162.39645946; Eh
	9-Nov-2018	/vacuum/complexes cchfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-654.139638385; Eh

Results 15511-15520 of 104515 (Search time: 0.011 seconds).