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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
26-Apr-2017	4a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-946.189729969; Eh
26-Apr-2017	dmf	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-248.368009832; Eh
26-Apr-2017	H3O+	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-76.7673119194; Eh
26-Apr-2017	H2O	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-76.3889040602; Eh
26-Apr-2017	flouride	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-99.9474079937; Eh
26-Apr-2017	1b	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d); LANL2DZ	-1971.97853112; Eh
31-Aug-2016	t23	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3101.68350259; Eh
31-Aug-2016	t26	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3101.67725982; Eh
31-Aug-2016	t6	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D	6-31g(d); SDD	-3101.69246449; Eh
31-Aug-2016	t9	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2814.28566038; Eh

Results 61-70 of 163 (Search time: 0.001 seconds).