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03083cam a2200397Mi 4500 |
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koha001010548 |
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OCoLC |
| 005 |
20231122155622.0 |
| 006 |
m d |
| 007 |
cr cnu---unuuu |
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211009s2021 gw ob 000 0 eng d |
| 035 |
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|a koha001010548
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|a EBLCP
|b eng
|c EBLCP
|d N$T
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| 019 |
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|a 1276855538
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|a 9783110739763
|q (electronic bk.)
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|a 3110739763
|q (electronic bk.)
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|a 9783110739800
|q (epub)
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|a 3110739801
|q (epub)
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|z 9783110739749
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4 |
|a QD450
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0 |
4 |
|a 541
|2 23
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|a MAIN
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|a Theoretical and computational chemistry aspects
|c edited by Ponnadurai Ramasami.
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|a Berlin ;
|a Boston
|b De Gruyter,
|c [2021]
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|a 1 online resource
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1 |
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|a Chemical sciences in the focus ;
|v volume 3
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|a Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) - Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.
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|t 1 Role of heteroatoms and substituents on the structure, reactivity, aromaticity, and absorption spectra of pyrene: a density functional theory study --
|t 2 Effect of delocalization of nonbonding electron density on the stability of the M-Ccarbene bond in main group metalimidazol- 2-ylidene complexes: a computational and structural database study --
|t 3 Educational components in the supervision of chemistry postgraduate students: experiences and reflections --
|t 4 Chemometric exploratory data analysis for patients with diabetes type 2 and diabetic complications --
|t 5 Electronic structure theory study of the reactivity and structural molecular properties of halo-substituted (F, Cl, Br) and heteroatom (N, O, S) doped cyclobutane --
|t 6 Theoretical investigation of the stability, reactivity, and the interaction of methylsubstituted peridinium-based ionic liquids --
|t 7 Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery --
|t 8 Determination of bulk and surface properties of liquid Bi-Sn alloys using an improved quasi-lattice theory --
|t 9 Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction --
|t 10 Thermodynamics of the micellization of quaternary based cationic surfactants in triethanolamine-water media: a conductometry study
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| 653 |
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|a Chemistry, Physical and theoretical.
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| 653 |
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|a Computational chemistry.
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| 655 |
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4 |
|a EBSCO eBooks
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| 700 |
1 |
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|a Ramasami, Ponnadurai,
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| 711 |
2 |
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|a Virtual Conference on Chemistry and its Applications "Research and Innovations in Chemical Sciences: Paving the Way Forward"
|d (2020 :
|c Online)
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| 830 |
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0 |
|a Chemical sciences in the focus ;
|v v. 3.
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| 856 |
4 |
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|u https://www.lib.tsu.ru/mminfo/2023/EBSCO/3050103.pdf
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|c 1010548
|d 1010548
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