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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Feb-2023	PT13_low_3	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6539715; Eh
20-Feb-2023	PT13_low_4	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6453539; Eh
20-Feb-2023	PT13_low_1	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6460697; Eh
21-Feb-2023	SP2_design_md5	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-213.34333163135997; Eh
21-Feb-2023	SP2_design_md3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-213.36338135039998; Eh
21-Feb-2023	SP2_design_md4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-213.34852612992; Eh
21-Feb-2023	SP2_design_md2	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-213.33004754111997; Eh
21-Feb-2023	SP2_design_md10	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-213.38174392511996; Eh
20-Feb-2023	SP1_crystal_md1	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-258.55294977984; Eh
21-Feb-2023	SP2_design_md12	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-213.34295251391998; Eh

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