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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2021	/DFT/HS/STAGGERED Cr(2,4,7-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-1975.27663048; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(1,2,3,4,5,6,7-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-2289.94827429; Eh
	29-Mar-2020	Scan-TS3-noAsPh3	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Single point Minimum	-	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)	-11051.5263886; Eh
	30-Jun-2021	/initial_complexes Complex_4_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1968.07177083; Eh
	19-Nov-2018	/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_transition-state	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; ES64L-G09RevD.01	Single point Minimum	RB3LYP	-	-1612.70986788; Eh
	19-Nov-2018	/SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_RSR-2product	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; AS64L-G09RevD.01	Single point Minimum	RDFTB	-	-85.1353335038; Eh
	21-Feb-2022	/silane_reactivity TSf	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1796.11762471; Eh
	21-Feb-2022	/silane_reactivity TSe	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1720.85851205; Eh
	21-Feb-2022	/silane_reactivity TSc	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1871.37847893; Eh
	21-Feb-2022	/silane_reactivity TSa	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1642.20206882; Eh

Results 11-20 of 72 (Search time: 0.002 seconds).