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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
13-Sep-2021	methoxyethene-exo-p-R	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-573.1413043; Eh
24-Jun-2020	t-H-TS3	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVP	-1169.6416824; Eh
24-Jun-2020	t-Hemiacetal	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVP	-1169.6801743; Eh
24-Jun-2020	t-E-TS4	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVP	-1131.5851117; Eh
24-Jun-2020	t-Enol-2	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-1130.32673; Eh
13-May-2021	kite	lopez, ricard	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
13-Sep-2021	da-exo-TS	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(D,P)	-573.531291; Eh
23-Jun-2020	TS4B	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	GEN	-915.6579274; Eh
23-Jun-2020	TS6_prim	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	GEN	-916.1158661; Eh
23-Jun-2020	6_prim	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	GEN	-916.121686; Eh

Results 211-220 of 447 (Search time: 0.001 seconds).