| Title (croatian) | In silico aided design of CO2 trapping substrates for catalyzed formation of carbonates and carbamates (IP-2019-04) |
| Author | Dean Marković |
| Other responsibility | Dean Marković (Contributor) |
| Author's institution | University of Rijeka (Faculty of Biotechnology and Drug Development) |
| Scientific / art field, discipline and subdiscipline | NATURAL SCIENCES Chemistry Organic Chemistry |
| Description (croatian) | Prikupljaju se podaci vezani uz projekt i to:
1) in silico studije: računaju se mogući supstrati za Pd-katalizirane intra- i inermolekulske karbamacije i
karbonacije uz upotrebu CO2; provode se kemijski računi o stabilnosti i geometriji reaktanata,
međuprodukata i produkata u navedenim reakcijama. Računati će se i PES plohe kao i mogući mehanistički
putevi. Računi će se provoditi u računalnim programima Gaussian i ORCA
2) eksperimentalni kemijski podaci:
a) sinteza supstrata na... More |
| Keywords (croatian) | |
| Language | croatian |
| Publication type | Data management plan |
| URN:NBN | urn:nbn:hr:193:088485 |
| Created | 2024-09-14 |
| Project | Number: IP-2019-04-8846 Title: In-silico potpomognut dizajn supstrata za hvatanje CO2 u katalitičkoj formaciji karbonata i karbamata Title: In silico aided design of CO2 trapping substrates for catalyzed formation of carbonates and carbamates Acronym: INDICATIOR Leader: Dean Marković Jurisdiction: Croatia Funder: Hrvatska zaklada za znanost Funding stream: Research Projects |
| Access conditions | Open access |
| Terms of use |  |
| Created on | 2024-09-30 08:58:22 |
