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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Dec-2023	B12I11_1-_NPA	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RB3LYP	DEF2TZVPP	-3574.9187152; Eh
	13-Dec-2023	B12I9_1-_NPA	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RB3LYP	DEF2TZVPP	-2979.1526775; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/1_6_isomer _GO_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3464245; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/3_8_isomer _GO_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3546778; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _GO_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3449239; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _SP_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3444401; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/1_6_isomer _GO_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3472509; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _GO_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3493282; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _SP_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3489216; Eh
	2-May-2024	/calcs/01_Delta_ST/03_R2_DBP/01_My/1_6_isomer _SP_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-692.3457987; Eh

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