ioChem-BD Browse - University of Copenhagen: Search

Search

previous
1
...
27
28
29
30
31
32
33
...
34
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/m062x single-bpy	Bro-Jørgensen, William	-	Geometry optimization Minimum	DFT	def2-TZVPPD	-495.3556952349; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/strong_field moved_0_0588	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5446300971; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_-0_529	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5311329239; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_0_206	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5340813647; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/weak_field moved_0_353	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5280910614; Eh
	13-Aug-2025	/dft_calculations/electrostatic_field/no_field moved_-0_676	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5263629675; 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_0_206	Bro-Jørgensen, William	-	Single point	DFT	def2-SVP	-989.5312975686; Eh

Results 291-300 of 340 (Search time: 0.002 seconds).