ioChem-BD Browse - University of Copenhagen: Search

Search

previous
1
...
23
24
25
26
27
28
29
next

Item hits:

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_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	-	-	-
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-0_676	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5378869583; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-0_971	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5347882833; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_-0_529	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5397331153; Eh
	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/weak_field moved_-0_0882	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5360872742; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_-0_382	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5330150136; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_-0_529	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5311329239; Eh

Results 251-260 of 288 (Search time: 0.002 seconds).