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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Dec-2025	/Ab-inito-thermodynamics/In(OH)3-m-HfO2 InHₓOᵧ(OH)₃₋ₓ₋ᵧ-m-HfO₂-21	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1944.30634336; eV
	2-Dec-2025	/Ab-inito-thermodynamics/In(OH)3-m-ZrO2 InHₓOᵧ(OH)₃₋ₓ₋ᵧ-m-ZrO₂-6	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1846.69521955; eV
	2-Dec-2025	/Ga-models/Oxygen-vacancies/Ga@MO2-slabs/Ga@HfO2/Surface Ga@m-HfO₂-vac-s4	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-459.82763956; eV
	2-Dec-2025	/In-models/Slabs-In-incorporation/Surface/ZrO2 In@m-ZrO₂-surf-s4	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-440.72729085; eV
	12-Mar-2026	int1c	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-6088.3358908; Eh
	12-Mar-2026	TS2b	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-6627.6068522; Eh
	12-Mar-2026	int1b	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-6088.3161191; Eh
	12-Mar-2026	Anthraquinone3	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-688.5489147; Eh
	12-Mar-2026	Anthraquinone2	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-688.5441673; Eh
	12-Mar-2026	Anthracene3	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-539.30378; Eh

Results 101631-101640 of 101944 (Search time: 0.065 seconds).