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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Feb-2016	Int3a-trans-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3793.31952995; Eh
	29-Feb-2016	FCa-trans-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2464.20133960; Eh
	28-Nov-2017	ss-IrZn-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-328.66669246; eV
	17-Oct-2017	/Gas_Geometries phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	N/A	-	-	-82.89552213; eV
	17-Oct-2017	/Gas_Geometries C	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-266.64412947; eV
	12-Feb-2019	sa-CdAg-2322	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-78.69902050; eV
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-345.208859468; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-i2-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1631.29783098; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-ts1-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1405.17002810; Eh
	8-May-2017	Ru-3-26	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-356.41872149; eV

Results 2851-2860 of 106051 (Search time: 0.004 seconds).