The Application of Quantum Mechanics in Reactivity of Molecules (Record no. 34655)

MARC details
000 -LEADER
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
Holdings
Withdrawn status Lost status Damaged status Not for loan Home library Current library Date acquired Total Checkouts Date last seen Price effective from Koha item type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