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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Jun-2022	TS1-dashdash-irc	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1664.59979529; Eh
	5-Jun-2022	TS1-dash-irc	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1664.73406132; Eh
	5-Jun-2022	TS1-irc	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1680.98153848; Eh
	5-Jun-2022	TS3-irc	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1647.03103232; Eh
	4-Nov-2021	A_conf_3	Merrill, Amy	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-
	4-Nov-2021	A_conf_2	Merrill, Amy	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-
	4-Nov-2021	A_conf_5	Merrill, Amy	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-
	1-Jul-2022	/Ligands 1b	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1237.84889712; Eh
	1-Jul-2022	/Complexes 2a	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1556.01815191; Eh
	1-Jul-2022	/Complexes 2b	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1709.60775274; Eh

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