| Description |
1 online resource (ix, 350 pages) : illustrations |
| Physical Medium |
polychrome |
| Description |
text file |
| Bibliography |
Includes bibliographical references. |
| Contents |
ch. 1. Computational modelling of the solvent effects on molecular properties / Roberto Cammi, Benedetta Mennucci and Jacopo Tomasi -- ch. 2. Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters / Maxime Guillaumea [and others] -- ch. 3. Ab initio calculations of the intermolecular nuclear spin-spin coupling constants / Magdalena Pecul and Joanna Sadlej -- ch. 4. Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies / Michael Meyer and Jiirgen Siihnel -- ch. 5. Model calculations of radiation induced damage in DNA constituents using density functional theory / David M. Close -- ch. 6. Excited states of nucleic acid bases / M.K. Shukla and Jerzy Leszczynski. |
| Summary |
Chapter 1 of this volume provides an overview of the theoretical andnumerical aspects in the development of the polarizable continuummodel (PCM). Chapter 2 demonstrates a multiplicative scheme used toestimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. |
| Local Note |
eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America |
| Subject |
Chemistry -- Mathematics.
|
|
Chemistry -- Mathematics. |
|
Parallel computers.
|
|
Parallel computers. |
| Genre/Form |
Electronic books.
|
| Added Author |
Leszczynski, Jerzy, 1949-
|
| ISBN |
9812564365 (electronic book) |
|
9789812564368 (electronic book) |
|
9789812387028 |
|
9812387021 |
|
1281876763 |
|
9781281876768 |
|
9812387021 |
|
