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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-1_41	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5315333468; Eh
13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-1_71	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5301545491; Eh
13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-1_85	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5296426650; Eh
13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-1_56	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5307746087; Eh
13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-2_0	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5292207465; Eh
13-Aug-2025	/dft_calculations/m062x single-bpy	Bro-Jørgensen, William	-	Geometry optimization Minimum	DFT	def2-TZVPPD	-495.3556952349; Eh
13-Aug-2025	/md_trajectories/5e-8 run_1	Bro-Jørgensen, William	LAMMPS; 28 Mar 2023 - Development	Molecular Dynamics	-	-	-

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