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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Aug-2025	/dft_calculations/gibbs_free_energy BSSE_bipyridines	Bro-Jørgensen, William	-	Single point	DFT	-	-990.7245971772; 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/no_field moved_-0_0882	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5332694692; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_-0_824	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5246329770; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_-0_971	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5231565422; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_-2_0	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5202752921; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_-1_85	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5177515696; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_-1_71	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5183006304; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_0_206	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5312975686; Eh
	13-Aug-2025	/dft_calculations/m062x single-bpy	Bro-Jørgensen, William	-	Geometry optimization Minimum	DFT	def2-TZVPPD	-495.3556952349; Eh

Results 271-280 of 288 (Search time: 0.002 seconds).