Energy Landscapes: Applications to Clusters, Biomolecules and Glasses"The book begins with an overview of each area in an attempt to make the subject matter accessible to workers in different disciplines. The basic theoretical ground-work for describing and exploring energy landscapes is then introduced, including the Born-Oppenheimer approximation, symmetry considerations and features of the potential energy surface. The emergence of structure, dynamics and thermodynamics and their relation to the landscape is then described, followed by applications to clusters, biomolecules and glasses in the final three chapters." "Beautifully illustrated in full colour throughout, this book is aimed at graduate students and workers in the field."--BOOK JACKET. |
Contents
II | 5 |
III | 5 |
IV | 8 |
V | 30 |
VI | 66 |
VII | 104 |
VIII | 119 |
X | 121 |
XLIII | 330 |
XLIV | 352 |
XLV | 364 |
XLVI | 365 |
XLVII | 384 |
XLVIII | 394 |
XLIX | 395 |
L | 397 |
XI | 123 |
XII | 126 |
XIII | 135 |
XIV | 157 |
XV | 161 |
XVI | 163 |
XVII | 165 |
XVIII | 170 |
XIX | 172 |
XX | 178 |
XXI | 186 |
XXII | 189 |
XXIII | 192 |
XXIV | 196 |
XXV | 209 |
XXVI | 211 |
XXVII | 219 |
XXVIII | 229 |
XXIX | 233 |
XXX | 237 |
XXXI | 241 |
XXXII | 242 |
XXXIII | 246 |
XXXIV | 250 |
XXXV | 276 |
XXXVI | 280 |
XXXVII | 283 |
XXXVIII | 284 |
XXXIX | 298 |
XL | 300 |
XLI | 304 |
XLII | 316 |
Other editions - View all
Energy Landscapes: Applications to Clusters, Biomolecules and Glasses David Wales No preview available - 2003 |
Common terms and phrases
Acad approach approximation atoms Biol calculated Chem clusters configuration space coordinates corresponding D. J. Wales defined degrees of freedom density disconnectivity graph discussed in Section Doye and D. J. dynamics eigenvalues eigenvector electronic energy barrier energy minimum entropy equilibrium folding free energy free energy surface fullerene function funnel geometry global minimum Hessian eigenvalues icosahedral icosahedron involving isomers J. P. K. Doye kinetic Lennard-Jones Lett liquid local minima master equation microcanonical minimisation molecular molecules Morse potential Natl normal mode nuclear obtained occupation probabilities optimisation order parameter P. G. Wolynes partition function pathways permission from reference permutation-inversion isomers phase Phys point group potential energy surface Proc properties protein quantum R. S. Berry rate constants rearrangement region relaxation Reproduced with permission sampling scale sequence simulations stationary points steepest-descent paths Struct structure symmetry temperature theory thermodynamic tion vector vibrational zero