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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2024	NH_cleavage	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Improved Dimer Method	DFT	-	-792.48794068; eV
	20-Feb-2024	2n_6h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Geometry optimization	DFT	-	-811.82429386; eV
	20-Feb-2024	nh3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Geometry optimization	DFT	-	-793.34616499; eV
	20-Feb-2024	surface	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Geometry optimization	DFT	-	-772.75126571; eV
	20-Feb-2024	surface	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Geometry optimization	DFT	-	-771.14354950; 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	-	-785.68463614; 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	-	-792.48793952; eV
	19-Jun-2023	/Vacuum_Phase/CH2NH CH2NH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-180.56826127; eV
	19-Jun-2023	/Vacuum_Phase/CH2NH freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-180.56826345; eV
	19-Jun-2023	/Vacuum_Phase/CHNH freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-175.74928143; eV

Results 4231-4240 of 4289 (Search time: 0.005 seconds).