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

Search

previous
1
...
1083
1084
1085
1086
1087
1088
1089
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2021	imnpri2b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G GENECP*	-462.090412587; Eh
	20-Nov-2021	aq-cp3-ph2incl2	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1499.8275676; Eh
	20-Nov-2021	aq-cp1-h2oso3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-431.318775; Eh
	20-Nov-2021	pch33b3lyp-of	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G GENECP*	-461.105682602; Eh
	20-Nov-2021	imnme2nme2-pdhph32_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1387.5500399; Eh
	20-Nov-2021	imnme2nme2-pdph3_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1043.9300807; Eh
	11-Feb-2022	TpBr3CuN_SiH_s_v2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8544274; Eh
	20-Nov-2021	a124triaznme2-incl2_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1243.143164; Eh
	20-Nov-2021	a124triaznme2b3lyp_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G GENECP*	-320.858321; Eh
	20-Nov-2021	a124triaznme2-zrcl5_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-2669.4927579; Eh

Results 10851-10860 of 12842 (Search time: 0.01 seconds).