1. Universitat Rovira i Virgili

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Author

• 434 Pan, Jie
• 400 Strugovshchikov, Evgenii
• 240 Villares, Mario
• 202 Besora, Maria
• 167 Maza Quiroga, Ricardo José
• 165 Puiggalí I Jou, Jordi
• 161 Solé-Daura, Albert
• 81 Masip, Albert
• 80 Bru, Gerard
• 58 Moreno Vicente, Antonio
• . next >

Subject

• 52 Zirconium
• 50 Computational chemistry
• 50 Homogeneous catalysis
• 44 Hydrolysis
• 44 phosphoester
• 44 Zr
• 44 Zr-oxo clusters
• 40 Uranium
• 27 Borates
• 27 Dienes
• . < previous next >

Date issued

• 3 2016

Method

• 1018 DFT
• 495 RwB97XD
• 368 RB3LYP
• 301 UB3LYP
• 51 PBE0 ...
• 40 UwB97XD
• 25 U-DFT
• 23 RPBE1PBE
• 21 NOCI-Fragments
• 17 CASSCF
• . next >

Recent Submissions

Date:	2025-10-29T13:06:19.979149+01:00
Title:	/self_act_st_cycpr/self_act_st_cycpr_opt ts2n
Author:	Villares, Mario
Keywords:

View item at 100/3496View

Date:	2025-10-29T13:06:19.992867+01:00
Title:	/self_act_st_cycpr/self_act_st_cycpr_opt tri_MECP_s8_cyclopropanone
Author:	Villares, Mario
Keywords:

View item at 100/3495View

Date:	2025-10-29T13:06:19.934119+01:00
Title:	/self_act_st_cycpr/self_act_st_cycpr_opt ts3o
Author:	Villares, Mario
Keywords:

View item at 100/3499View

Date:	2025-10-29T13:06:19.919151+01:00
Title:	/self_act_st_cycpr/self_act_st_cycpr_opt int2o
Author:	Villares, Mario
Keywords:

View item at 100/3500View

Date:	2025-10-29T13:06:19.949568+01:00
Title:	/self_act_st_cycpr/self_act_st_cycpr_opt ts3n
Author:	Villares, Mario
Keywords:

View item at 100/3498View