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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
13-Dec-2016	positivemodel_SO3	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-
13-Dec-2016	negativemodel_F	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-
20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_276 disp_276	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61700335; eV
28-Feb-2017	/NpS2(2+)/S=3_2 Eta2-NpS2(2+)_CAS(5,8)PT2_optimisation	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
31-Jan-2017	_2_Optimization_and_Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1568.58267882; Eh
31-Jan-2017	_2constrained_Optimization_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1568.56491192; Eh
31-Jan-2017	_1constrained_Optimization	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1568.56047682; Eh
31-Jan-2017	_1constrained_TD-DFT	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE; TD-FC	-	-1568.89840410; Eh
31-Jan-2017	_1_TD-DFT	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE; TD-FC	-	-1568.94098020; Eh
31-Jan-2017	_1_Stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1568.60524371; Eh

Results 9351-9360 of 103542 (Search time: 0.008 seconds).