ioChem-BD Browse - UdG: Search

Search

previous
1
2
3
4
5
6
7
...
13
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Apr-2023	/electrochem frq_opt_bc2f53_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5012.18590689; Eh
	6-Apr-2023	/electrochem frq_opt_bc2f53_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5011.95686062; Eh
	6-Apr-2023	/electrochem frq_opt_bi3_re_-1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4179.05721390; Eh
	6-Apr-2023	/electrochem frq_opt_bch3_re_-1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3405.13712043; Eh
	6-Apr-2023	/electrochem frq_opt_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4666.21727136; Eh
	6-Apr-2023	/electrochem frq_opt_bcl3_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4666.02170805; Eh
	6-Apr-2023	/electrochem frq_opt_bh3_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3286.90644074; Eh
	6-Apr-2023	/electrochem frq_opt_bOTf3_re_-1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6170.95454628; Eh
	6-Apr-2023	/electrochem frq_opt_bcl3_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4665.79565186; Eh
	6-Apr-2023	/adducts frq_optTS_bph3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3969.34594195; Eh

Results 31-40 of 130 (Search time: 0.001 seconds).