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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ch3-pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-511.031950370; Eh
	9-Nov-2018	/vacuum/complexes clmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-790.162931437; Eh
	9-Nov-2018	/vacuum/complexes clauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-939.198717390; Eh
	9-Nov-2018	/vacuum/complexes ch3-alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1663.26559263; Eh
	9-Nov-2018	/vacuum/complexes clfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1504.64491441; Eh
	1-Sep-2023	Cplx1	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1127.4641677; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-4aZ7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.13373067; eV
	9-Nov-2018	/vacuum/complexes ch3-fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1084.30391053; Eh
	9-Nov-2018	/vacuum/complexes ch3-conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-468.131863882; Eh
	9-Nov-2018	/vacuum/complexes ch3-pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-854.745332033; Eh

Results 24901-24910 of 104445 (Search time: 0.015 seconds).