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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_-1_56	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5189601150; Eh
	13-Aug-2025	/dft_calculations/gibbs_free_energy single_bipyridine	Bro-Jørgensen, William	-	Geometry optimization Minimum	DFT	def2-TZVPPD	-495.3556952301; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-0_382	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5415693782; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_0_206	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5424370221; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-1_12	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5335488124; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_-0_824	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5275268520; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_-1_85	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5207233843; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_0_5	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5128626630; Eh
	13-Aug-2025	/dft_calculations/m062x double-bpy	Bro-Jørgensen, William	-	Geometry optimization TS	DFT	def2-TZVPPD	-990.7248893047; Eh
	13-Aug-2025	/md_trajectories/5e-8 run_1	Bro-Jørgensen, William	LAMMPS; 28 Mar 2023 - Development	Molecular Dynamics	-	-	-

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