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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-IrOs-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-438.08371254; eV
	28-Nov-2017	ss-IrCu-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-350.38776529; eV
	28-Nov-2017	ss-IrNi-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-373.36105838; eV
	28-Nov-2017	ss-IrNi-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-366.51695727; eV
	28-Nov-2017	ss-IrOs-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-444.66437360; eV
	28-Nov-2017	ss-IrFe-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-403.94264428; eV
	7-Apr-2019	/Catalytic_cycle_1 I6Anti_Si_Up_Trans_1VDW_complex	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2278.29056926; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3Syn_Si_Up_Trans_1VDW_complex	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2278.25264802; Eh
	2-May-2019	INT3_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3176.7381856; Eh
	2-May-2019	INT2_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3176.7438689; Eh

Results 32101-32110 of 104079 (Search time: 0.019 seconds).