Annual reports in computational chemistry. v. 10 /

• Άλλοι συγγραφείς: Wheeler, Ralph A. (Επιμελητής έκδοσης)
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Amsterdam : Elsevier, 2014.
• Θέματα: Chemistry > Data processing.; Chemistry > Computer simulation.; SCIENCE > Chemistry > Clinical.; Electronic books.
• Περιγραφή τεκμηρίου: Previously issued in print: 2012.
• Φυσική περιγραφή: 1 online resource
• Βιβλιογραφία: ReferencesChapter Two: On the Transferability of Three Water Models Developed by Adaptive Force Matching; 1. Introduction; 2. The Adaptive Force-Fitting Procedure; 3. Three Water Models Developed by AFM; 4. Computational Details; 5. Results and Discussion; 6. Conclusion; Acknowledgments; References; Section B: Biological Applications; Chapter Three: Seeing the Forest in Lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length Scales; 1. Introduction; 2. General Formulation of the Model; 2.1. Derivation of the Model in Real Space; 2.2. Real-Space Implementation.
• ISBN: 9780444633972; 0444633979; 9780444633781

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistryMolecular mechanicsForce fieldsChemical education and applications in academic and industrial settings.