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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	gas-2414	García Muelas, Rodrigo	vasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complex	Geometry optimization	-	-	-38.78417018; 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
	8-May-2017	Ru-9-14	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-329.54525646; eV
	22-May-2018	/1-phenylphospholane_oxide_+_Theosilane_in_THF Theosilane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-750.879678346; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_H/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.47497570; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Isom/Guess/opt opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3864.40349928; Eh
	11-Apr-2021	/Diels_Alder h9-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-539.678029242; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-38Z3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-224.79514060; eV
	8-Jun-2020	/PU1_formation 2,4-TDA_diss+MC2_diss	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2010.23609204; eV
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/L_Carbonate L_Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3865.27154784; Eh

Results 22801-22810 of 104508 (Search time: 0.015 seconds).