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

Search

previous
1
...
1169
1170
1171
1172
1173
1174
1175
...
1236
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 cchznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-343.813486835; Eh
	9-Nov-2018	/vacuum/complexes chch2ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-982.098966083; Eh
	9-Nov-2018	/vacuum/complexes cchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-980.866595280; Eh
	9-Nov-2018	/vacuum/complexes chch2pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-549.118621747; Eh
	9-Nov-2018	/vacuum/complexes bpinpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-725.143353535; Eh
	9-Nov-2018	/vacuum/complexes chch2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1701.34491299; Eh
	9-Nov-2018	/vacuum/complexes cchalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1700.11036886; Eh
	9-Nov-2018	/vacuum/complexes cchwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-710.746604743; 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

Results 11711-11720 of 12354 (Search time: 0.008 seconds).