ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
70
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Mar-2021	syn_11_ap_8_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_ap_21_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_exo_sc_11_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_ap_7_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_ap_conf_1_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_exo_sc_12_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_ap_conf_5_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	9-Mar-2021	iminium_ion_syn_11_conf_1	Merrill, Amy	Gaussian; 16; AS64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	3-May-2019	b3lyp-Ru-2-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.76970068; Eh
	3-May-2019	b3lyp-Ru-9-OOHREDOXED-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.22985936; Eh

Results 1-10 of 695 (Search time: 0.003 seconds).