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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Oct-2021	Cu_tfmvs_am	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3615.80121894; Eh
	1-Oct-2021	TS2_C_tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3445.57329374; Eh
	1-Oct-2021	tfmb_9BBN_am	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-794.066182695; Eh
	1-Oct-2021	tfmb_9BBN_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-794.064931275; Eh
	1-Oct-2021	tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-455.145214535; Eh
	11-Mar-2021	DCM_INTHOMO	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2787.06035680; Eh
	11-Mar-2021	DCM_TSHOMO	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2787.05254444; Eh
	11-Mar-2021	TOL_INTCC1_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.06938374; Eh
	11-Mar-2021	TOL_INTCC3_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.12963890; Eh
	11-Mar-2021	TOL_INTCC2_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.07893487; Eh

Results 6201-6210 of 7160 (Search time: 0.006 seconds).