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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Feb-2024	bare_surface	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-6.37023661; eV
	14-Feb-2024	bare_surface	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	17.68357472; eV
	20-Feb-2024	n_3h_nh3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Geometry optimization	DFT	-	-812.59854935; eV
	20-Feb-2024	nh2_h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Geometry optimization	DFT	-	-792.17209995; eV
	20-Feb-2024	nh_2h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Geometry optimization	DFT	-	-792.08899812; eV
	20-Feb-2024	n_3h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Geometry optimization	DFT	-	-791.83208118; eV
	19-Jun-2023	/Implicit_Solvation_Phase/CH2NH CH2NH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Geometry optimization	DFT	-	-180.67823055; eV
	19-Jun-2023	/Implicit_Solvation_Phase/CHNH CHNH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Geometry optimization	DFT	-	-175.83393142; eV
	19-Jun-2023	/Explicit_Solvation_Phase/TS_calculations/HCN_CH2N TS_opt	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 06 2022 13:23:30) complex	Geometry optimization	DFT	-	-264.69738112; eV
	19-Jun-2023	/Explicit_Solvation_Phase/TS_calculations/CHNH_CH2N TS_opt	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 06 2022 13:23:30) complex	Geometry optimization	DFT	-	-213.81255311; eV

Results 2551-2560 of 2588 (Search time: 0.004 seconds).