Practical aspects of computational chemistry II : an overview of the last two decades and current trends
Jerzy Leszczynski, Manoj K. Shukla (Springer, 2012)
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| This volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the s-bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage. |
 Practical Aspects of Computational Chemistry II.pdf :: Unduh
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| No. Panggil : | e20406017 |
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| Penerbitan : | Dordrecht, Netherlands: Springer, 2012 |
| Sumber Pengatalogan: | LibUI eng rda |
| Tipe Konten: | text |
| Tipe Media: | computer |
| Tipe Pembawa: | online resource |
| Deskripsi Fisik: | |
| Tautan: | http://link.springer.com/book/10.1007%2F978-94-007-0923-2 |
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| No. Panggil | No. Barkod | Ketersediaan |
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| e20406017 | TERSEDIA |
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| Tidak ada ulasan pada koleksi ini: 20406017 |
