ioChem-BD Browse - Jagiellonian University: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
13
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2021	/models_type1/species_A quartet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2478.88725055; Eh
	30-Apr-2021	/models_type1/ligands H2O_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP	-76.476387; Eh
	30-Apr-2021	/models_type0/species_1_and_2b doublet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2385.55100109; Eh
	30-Apr-2021	/models_type1/species_1 quartet_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SV DEF2SVP GEN	-2553.74172580; Eh
	30-Apr-2021	/models_type2/species_B doublet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2554.89377685; Eh
	30-Apr-2021	/models_type1/species_2b sextet_tzvp	Mariusz, Radon	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2554.88654025; Eh
	30-Apr-2021	/models_type2/species_3 sextet_tzvp	Mariusz, Radon	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2783.87302331; Eh
	30-Apr-2021	/models_type2/species_1 doublet_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-2782.85242439; Eh
	30-Apr-2021	/models_type1/species_B doublet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2478.40971806; Eh
	30-Apr-2021	/models_type1/ligands ImH_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP	-226.3332136; Eh

Results 51-60 of 121 (Search time: 0.0 seconds).