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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	B12I9_1-_NPA	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RB3LYP	DEF2TZVPP	-2979.1526775; Eh
	18-Apr-2024	tC-DEA+6H2O_tdb3_tzvp_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	TZVP	-1734.0941404; Eh
	13-Dec-2023	B12I11-C2H7N_TS_+142_+248	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-3710.16963158; Eh
	13-Dec-2023	B12I11-C2H7N_TS_+0_+177	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-3710.19885264; Eh
	13-Dec-2023	B12I11-C2H7N_+177	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.20445031; Eh
	13-Dec-2023	B12I11-C2H7N_+248	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.17325638; Eh
	13-Dec-2023	B12I11-C2H7N_+142	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.22303608; Eh
	13-Dec-2023	B12I11-C2H7N_+000	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.28251963; Eh
	13-Dec-2023	B12I11_C2H6S_+388	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-4052.95467848; Eh
	13-Dec-2023	B12I10SCN_N2_1-	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3877.84489597; Eh

Results 19221-19230 of 19262 (Search time: 0.014 seconds).