ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jun-2020	s_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1743.29973558; Eh
	8-Jun-2020	r_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1948.21814509; Eh
	8-Jun-2020	k_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1839.68465851; Eh
	8-Jun-2020	l_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1803.73687470; Eh
	8-Jun-2020	j_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1764.39449960; Eh
	8-Jun-2020	b_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1690.35477274; Eh
	8-Jun-2020	a_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1651.01859189; Eh
	8-Jun-2020	t_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1827.13088094; Eh
	8-Jun-2020	MeMe_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1729.69074904; Eh
	8-Jun-2020	m_B3LYP	Chamkin, Aleksandr	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP DEF2TZVPP/FIT	-1898.44742539; Eh

Results 11-20 of 27 (Search time: 0.002 seconds).