ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
211
212
213
214
215
216
217
...
255
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2+CHCH3(π_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.12560908; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-C3H6-TS_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-539.46025946; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CH2+CHCH3_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-540.03039040; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-C3H8-TS	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-534.41303929; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH3+CH2CH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-535.96835972; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt4-C3N4-C3H6-TS_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.52387938; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CCHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.46078691; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CCHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.84671826; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-C3H8-TS	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-549.10879772; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-sn-C3N4-CH3+CH2CH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.74652506; eV

Results 2131-2140 of 2546 (Search time: 0.002 seconds).