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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Frequencies	DFT	-	-812.59855038; eV
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Frequencies	DFT	-	-811.82429309; eV
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Frequencies	DFT	-	-791.83208252; eV
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Frequencies	DFT	-	-792.08899718; eV
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Frequencies	DFT	-	-792.17210191; 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	/Implicit_Solvation_Phase/CH2NH freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Frequencies	DFT	-	-180.67824358; eV
	19-Jun-2023	/Implicit_Solvation_Phase/HCN freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Frequencies	DFT	-	-172.58225483; eV

Results 291-300 of 329 (Search time: 0.002 seconds).