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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2024	/calcs/01_Delta_ST/01_R2_DPA/01_My/n_1 _SP_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-538.8548159; Eh
	2-May-2024	/calcs/01_Delta_ST/01_R2_DPA/01_My/n_0 _SP_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-385.3709359; Eh
	2-May-2024	/calcs/01_Delta_ST/02_R2_DADPA/03_PDM/n_3 _SP_S_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-5476.8728691; Eh
	2-May-2024	/calcs/01_Delta_ST/02_R2_DADPA/02_DPM/n_2 _SP_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-1647.7317972; Eh
	2-May-2024	/calcs/01_Delta_ST/02_R2_DADPA/02_DPM/n_0 _SP_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-1340.7470036; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M14	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1491.41614244; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M15	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1493.12797907; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M17	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1493.11826320; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M16	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1493.12077354; Eh
	2-May-2024	/calcs/01_Delta_ST/04_R2_DADBP/02_DPM/2_7_isomer _SP_T_	Santiago Piera, Raul	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	6-311G(D)	-1647.728159; Eh

Results 7771-7780 of 8124 (Search time: 0.008 seconds).