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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Frequencies	DFT	-	-19.54768126; eV
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Frequencies	DFT	-	-16.65053640; eV
	20-Feb-2024	freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Frequencies	DFT	-	-6.77156347; eV
	19-Jun-2023	/Implicit_Solvation_Phase/CH4+NH3 CH4+NH3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Geometry optimization	DFT	-	-198.06056094; eV
	19-Jun-2023	/Explicit_Solvation_Phase/CH2N CH2N	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-266.53567197; eV
	19-Jun-2023	/Explicit_Solvation_Phase/CHNH CHNH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-266.01790680; eV
	19-Jun-2023	/Explicit_Solvation_Phase/CHNH freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-266.01782506; eV
	19-Jun-2023	/Explicit_Solvation_Phase/HCN freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-266.09058829; eV
	20-Feb-2024	n2_6h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Geometry optimization	DFT	-	-373.41882562; eV
	20-Feb-2024	2n_6h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Geometry optimization	DFT	-	-374.67820824; eV

Results 261-270 of 329 (Search time: 0.001 seconds).