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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2024	03-TpBrCF3_2Ag	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2908.13217373; Eh
	8-Nov-2024	04-CO2EtProdPrim	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-425.686594117; Eh
	8-Nov-2024	05-CO2EtProdSec	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-425.687633495; Eh
	8-Nov-2024	02-Propane	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-119.160636794; Eh
	26-Aug-2024	pyrrole_phenyl_imine_phenyl_ethynyl_HLT_m062x_ccpvtz	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	CC-PVTZ	-3772.0579385; Eh
	6-Sep-2024	/M06L/W W04O15-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	19-Nov-2024	/Ag/211/K_3_H2O/HCOOH sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-230.43865569; eV
	19-Nov-2024	/Ag/211/K_3_H2O/HCOO opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-227.55993673; eV
	19-Nov-2024	/Ag/211/K_3_H2O/OCO new	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-222.53572543; eV
	19-Nov-2024	/Ag/211/K_3_H2O/slab opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.11101754; eV

Results 80731-80740 of 104124 (Search time: 0.055 seconds).