1. Universitat Rovira i Virgili

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Author

• 524 Pan, Jie
• 465 Villares, Mario
• 400 Strugovshchikov, Evgenii
• 202 Besora, Maria
• 201 Puiggalí I Jou, Jordi
• 197 Solé-Daura, Albert
• 167 Maza Quiroga, Ricardo José
• 113 Masip, Albert
• 80 Bru, Gerard
• 58 Moreno Vicente, Antonio
• . next >

Subject

• 24 Reductive Hydrogenation
• 24 Sulfido
• 24 Tantalum
• 23 Titanium
• 21 CO2
• 21 CO2RR
• 21 Dimer
• 21 Iron
• 21 Organic-inorganic hybrid composites
• 21 Photocatalysis
• . < previous next >

Date issued

• 3 2016

Method

• 1038 DFT
• 522 RwB97XD
• 448 RB3LYP
• 342 UB3LYP
• 222 RPBEPBE
• 51 PBE0 ...
• 40 UwB97XD
• 25 U-DFT
• 23 RPBE1PBE
• 21 NOCI-Fragments
• . next >

Recent Submissions

Date:	2026-09-09T11:01:01.967041+02:00
Title:	/Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-C3H6
Author:	Pan, Jie
Keywords:

View item at 100/3920View

Date:	2026-09-09T11:01:02.014195+02:00
Title:	/Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-H2
Author:	Pan, Jie
Keywords:

View item at 100/3921View

Date:	2026-09-09T11:01:02.516986+02:00
Title:	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS2-1
Author:	Pan, Jie
Keywords:

View item at 100/3915View

Date:	2026-09-09T11:01:02.54774+02:00
Title:	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS1-1
Author:	Pan, Jie
Keywords:

View item at 100/3914View

Date:	2026-09-09T11:01:01.927856+02:00
Title:	/Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-C3H8-C2
Author:	Pan, Jie
Keywords:

View item at 100/3919View