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

Search

previous
1
...
2214
2215
2216
2217
2218
2219
2220
...
10353
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 bpinwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-888.004487569; Eh
	9-Nov-2018	/vacuum/complexes ph3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-609.964990032; Eh
	9-Nov-2018	/vacuum/complexes cchk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-105.058620726; Eh
	9-Nov-2018	/noDisp/complexes sin-nchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-997.3223161; Eh
	9-Nov-2018	/noDisp/complexes sin-h2owco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-710.3261029; Eh
	9-Nov-2018	/vacuum/complexes ph3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-961.886339894; Eh
	9-Nov-2018	/vacuum/complexes ph3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-559.561874974; Eh
	9-Nov-2018	/vacuum/complexes ph3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-834.779399411; Eh
	9-Nov-2018	/vacuum/complexes bpintame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-470.658049712; Eh
	9-Nov-2018	/vacuum/complexes ph3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2033.35464844; Eh

Results 22161-22170 of 103529 (Search time: 0.014 seconds).