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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS1W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-635.778030436; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS2W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-635.744335518; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS1_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-559.303735448; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS2_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-559.275113896; Eh
	30-Jun-2020	i302301	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-165.45449453; eV
	12-Feb-2019	ss-OsRh-1401	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-491.56278459; eV
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS1WW_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-712.231357681; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS2N_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-773.087580468; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i5-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.96005540; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-ts2-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2347.21505169; Eh

Results 1681-1690 of 104079 (Search time: 0.004 seconds).