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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2018	/Suggested_Synthesis_Theosilane I3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1209.32696902; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ NButylamine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-212.42256222; Eh
	8-May-2017	Ru-4-20	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-352.90962770; eV
	23-Jul-2018	/cis2butene/Ni/100/1H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-273.46597802; eV
	23-Jul-2018	/cis2butene/Ni/100/1H C4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	DFT	-	-273.77616812; eV
	23-Jul-2018	/cis2butene/Ni/100/1H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	DFT	-	-274.00040788; eV
	23-Jul-2018	/1butene/Pt/111/9H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-362.80929695; eV
	22-May-2018	/Suggested_Synthesis_Theosilane I2_without_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1209.24759242; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane H2AlCl	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-703.863428298; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane Theosilane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-750.880122136; Eh

Results 11001-11010 of 104079 (Search time: 0.009 seconds).