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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
28-Nov-2017	ol-RhRe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-403.95123110; eV
17-Oct-2017	/Solvation/h2o G1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-154.39093738; eV
17-Oct-2017	/Solvation/h2o G5	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-169.50396606; eV
11-Apr-2021	/N_sulfonylguanidine n2-ts2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2135.27701800; Eh
17-Oct-2017	/Solvation/h2o benzene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	-	-	-76.20241973; eV
17-Oct-2017	/Solvation/h2o G9	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-162.83798140; eV
17-Oct-2017	/Solvation/h2o phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-83.21644958; eV
17-Oct-2017	/Solvation/h2o B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-267.66080144; eV
17-Oct-2017	/Solvation/h2o G2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-154.29293857; eV
17-Oct-2017	/Solvation/h2o A	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-267.69137168; eV

Results 19311-19320 of 104512 (Search time: 0.011 seconds).