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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2018	/cis2butene/Pd/100/8H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-293.68826490; eV
	22-May-2018	/1-phenylphospholane_oxide_+_Theosilane_in_THF I1_Theosilane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1556.37655723; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_Theosilane_in_THF Theosilane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-750.879678346; Eh
	8-Nov-2018	/water/complexes aq-ofenofecl2sextup_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1274.2784834; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-213.768332517; Eh
	8-May-2017	Ru-3-47	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-356.47709603; eV
	8-May-2017	Pt-2411	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-322.46972158; eV
	8-May-2017	Ru-9-02	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	-	-	-343.65695905; eV
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I2a_H3SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1328.40538715; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I1a_H3SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1328.39694280; Eh

Results 10511-10520 of 104079 (Search time: 0.009 seconds).