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Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others]
| Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others] |
| Pubbl/distr/stampa | Amsterdam, Netherlands : , : Elsevier, , 2015 |
| Descrizione fisica | 1 online resource (359 p.) |
| Disciplina | 541.0113 |
| Collana | Frontiers in Computational Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical - Computer simulation
Chemistry, Physical and theoretical - Mathematics Chemistry - Data processing |
| ISBN | 1-60805-864-6 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Cover; Title; EUL; Contents; Preface; List of Contributors; Chapter 01; Chapter 02; Chapter 03; Chapter 04; Chapter 05; Chapter 06; Chapter 07; Chapter 08; Index; Back Cover |
| Record Nr. | UNINA-9910797070503321 |
| Amsterdam, Netherlands : , : Elsevier, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others]
| Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others] |
| Pubbl/distr/stampa | Amsterdam, Netherlands : , : Elsevier, , 2015 |
| Descrizione fisica | 1 online resource (359 p.) |
| Disciplina | 541.0113 |
| Collana | Frontiers in Computational Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical - Computer simulation
Chemistry, Physical and theoretical - Mathematics Chemistry - Data processing |
| ISBN | 1-60805-864-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Cover; Title; EUL; Contents; Preface; List of Contributors; Chapter 01; Chapter 02; Chapter 03; Chapter 04; Chapter 05; Chapter 06; Chapter 07; Chapter 08; Index; Back Cover |
| Record Nr. | UNINA-9910809760403321 |
| Amsterdam, Netherlands : , : Elsevier, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Isaiah Shavitt : A Memorial Festschrift from Theoretical Chemistry Accounts / / edited by Ron Shepard, Russell M. Pitzer, Thom Dunning
| Isaiah Shavitt : A Memorial Festschrift from Theoretical Chemistry Accounts / / edited by Ron Shepard, Russell M. Pitzer, Thom Dunning |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (346 p.) |
| Disciplina | 541.0113 |
| Collana | Highlights in Theoretical Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical
Atomic structure Molecular structure Theoretical and Computational Chemistry Atomic/Molecular Structure and Spectra Physical Chemistry |
| ISBN | 3-662-48148-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | From the Contents: The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics -- Anchoring the Potential Energy Surface for the Br + H2O → HBr + OH Reaction -- Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method -- Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning. |
| Record Nr. | UNINA-9910254056103321 |
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||