The Application of Quantum Mechanics in Reactivity of Molecules (Record no. 34655)
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| 000 -LEADER | |
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| fixed length control field | 01430nam a2200121Ia 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 220620s9999||||xx |||||||||||||| ||und|| |
| 245 #4 - TITLE STATEMENT | |
| Title | The Application of Quantum Mechanics in Reactivity of Molecules |
| 546 ## - LANGUAGE NOTE | |
| Language note | English[eng] |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Pyrophosphate||electronic structure||mechanical properties||optical properties||first-principles calculations||chemical reactivity theory||HSAB principle||information theory||quantum mechanics||regional complementarity rule||virial theorem||free radical scavengers||antioxidants||fluoxetine||depressive disorder||major||oxidative stress||DFT calculations||reactive oxygen species||porphyrins, density functional theory||DFT||surfaces||self-assembly||scanning tunneling microscopy||dispersion||nanostructures||solid state||condensed phase||[NiFeSe] hydrogenase||quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations||vibrational frequency analyses||Fourier transform infrared (FTIR) frequencies||Quercetin molecule||conformational mobility||hydroxyl group||transition state||concerted rotation of the hydroxyl groups||quantum-chemical calculations||quantum technology||chemical kinetics||reaction rate||RRKM theory||master equation||coordination complexes||donor–acceptor systems||partial electronic flows||phase–current relations||subsystem phases||n/a |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Sousa, Sérgio F. |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://mdpi.com/books/pdfview/book/3524">https://mdpi.com/books/pdfview/book/3524</a> |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | E-Books |
| Withdrawn status | Lost status | Damaged status | Not for loan | Home library | Current library | Date acquired | Total Checkouts | Date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|
| Kerala University of Digital Sciences, Innovation and Technology Knowledge Centre | Kerala University of Digital Sciences, Innovation and Technology Knowledge Centre | 20/06/2022 | 20/06/2022 | 20/06/2022 | E-Books |