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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2021	PR155	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-323.8857545; Eh
	1-Dec-2021	CH2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-39.0645694; Eh
	29-Sep-2021	CO2	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-188.339412219; Eh
	6-Apr-2022	/6_Wells-Dawson/Mo/X=Si/Qmodel2 Qmodel2	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	LANL2DZ	-5894.0027832; Eh
	6-Apr-2022	/6_Wells-Dawson/W/X=P/Qmodel2 Qmodel2	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	LANL2DZ	-5905.0279303; Eh
	6-Apr-2022	/5_Keggin/Mo/X=P/OPT_IR OPT_IR	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	DEF2TZVP	-4174.88825215; Eh
	6-Apr-2022	/5_Keggin/Mo/X=Al/Qmodel2 Qmodel2	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	LANL2DZ	-3825.8068817; Eh
	6-Apr-2022	/5_Keggin/Nb/X=Si/Qmodel1 Qmodel1	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	DEF2TZVP	-3990.196762; Eh
	6-Apr-2022	/5_Keggin/Nb/X=P/Qmodel1 Qmodel1	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	DEF2TZVP	-4041.9918524; Eh
	6-Apr-2022	/1_Lindqvist/W/Qmodel1 Qmodel1	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	DEF2TZVP	-1835.1367319; Eh

Results 2911-2920 of 3041 (Search time: 0.003 seconds).