niketic (16 risultati)

Condizione: Fair. This is an ex-library book and may have the usual library/used-book markings inside.This book has hardback covers. In fair condition, suitable as a study copy. No dust jacket. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,600grams, ISBN:

Condizione: New. In.

PF. Condizione: New.

Condizione: New. pp. 228.

25 x 17 cm, Broschur. IX, 212 S. Einband berieben und bestoßen. Innen sauber. Sprache: Englisch Gewicht in Gramm: 550.

Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - In this chapter ve shall discuss the calculation of potential energy associated vith molecular conforaations. Raving obtained cartesian atoaic coordinates defining conforaations. and lists of intraao- cular interactions, as described in Chapter 3, ve are ready to calculate a quantity which in the chemical literature is known as the total aolecular potential energy or the conforaational, steric, strain or intraaolecular energy. ~he conformational energy of a aolecule can be expressed as a function , of all internal coordinates and interatoaic distances, or as a function of atoaic positions specified by soae general coordi Dates. ~he function , is supposed to haye local ainiaa corresponding to the stable equilibrium conforaations of a aolecule in vacuo, Deglecting interaolecular interactions. ~he exact fora of Y is. of course, unknown. We assume that it can be suitably approximated by a sua of different types of energy contri hutions: , = Y ., +, +, ., be. nb e ~he teras represent cODtributions to the total aolecular potential energy , due to bond stretching and coapression teras Vb' valence aDgle bending teras 'e' iDterDal rotational or torsional teras V, DOD-bonded interactions 'nb and electrostatic or Couloab iDter actions 'e. If there are other intraaolecular aechanisas affecting 79 V, sucD as hydrogen bonding, corresponding terms say be added.

Paperback. Condizione: Very Good. Dust Jacket may NOT BE INCLUDED.CDs may be missing. SHIPS FROM MULTIPLE LOCATIONS. book.

Original-kartoniert; Gr. 8°; IX (I) 212 (2) Seiten. Gutes Exemplar. Sprache: Englisch Lecture Notes in Chemistry 3. 420 gr.

LeatherBound. Condizione: NEW. BOOKS ARE EXEMPT FROM IMPORT DUTIES AND TARIFFS; NO EXTRA CHARGES APPLY. Leatherbound edition. Condition: New. Leather Binding on Spine and Corners with Golden leaf printing on spine. Bound in genuine leather with Satin ribbon page markers and Spine with raised gilt bands. Pages: 248. A perfect gift for your loved ones. Reprinted from 1907 edition. NO changes have been made to the original text. This is NOT a retyped or an ocr'd reprint. Illustrations, Index, if any, are included in black and white. Each page is checked manually before printing. As this print on demand book is reprinted from a very old book, there could be some missing or flawed pages, but we always try to make the book as complete as possible. Fold-outs, if any, are not part of the book. If the original book was published in multiple volumes then this reprint is of only one volume, not the whole set. IF YOU WISH TO ORDER PARTICULAR VOLUME OR ALL THE VOLUMES YOU CAN CONTACT US. Resized as per current standards. Sewing binding for longer life, where the book block is actually sewn (smythe sewn/section sewn) with thread before binding which results in a more durable type of binding. Language: SCC Pages: 248.

LeatherBound. Condizione: NEW. BOOKS ARE EXEMPT FROM IMPORT DUTIES AND TARIFFS; NO EXTRA CHARGES APPLY. Leatherbound edition. Condition: New. Leather Binding on Spine and Corners with Golden leaf printing on spine. Bound in genuine leather with Satin ribbon page markers and Spine with raised gilt bands. Pages: 386. A perfect gift for your loved ones. Reprinted from 1914 edition. NO changes have been made to the original text. This is NOT a retyped or an ocr'd reprint. Illustrations, Index, if any, are included in black and white. Each page is checked manually before printing. As this print on demand book is reprinted from a very old book, there could be some missing or flawed pages, but we always try to make the book as complete as possible. Fold-outs, if any, are not part of the book. If the original book was published in multiple volumes then this reprint is of only one volume, not the whole set. IF YOU WISH TO ORDER PARTICULAR VOLUME OR ALL THE VOLUMES YOU CAN CONTACT US. Resized as per current standards. Sewing binding for longer life, where the book block is actually sewn (smythe sewn/section sewn) with thread before binding which results in a more durable type of binding. Language: Serbian Pages: 386.

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -In this chapter ve shall discuss the calculation of potential energy associated vith molecular conforaations. Raving obtained cartesian atoaic coordinates defining conforaations. and lists of intraao- cular interactions, as described in Chapter 3, ve are ready to calculate a quantity which in the chemical literature is known as the total aolecular potential energy or the conforaational, steric, strain or intraaolecular energy. ~he conformational energy of a aolecule can be expressed as a function , of all internal coordinates and interatoaic distances, or as a function of atoaic positions specified by soae general coordi Dates. ~he function , is supposed to haye local ainiaa corresponding to the stable equilibrium conforaations of a aolecule in vacuo, Deglecting interaolecular interactions. ~he exact fora of Y is. of course, unknown. We assume that it can be suitably approximated by a sua of different types of energy contri hutions: , = Y ., +, +, ., be. nb e ~he teras represent cODtributions to the total aolecular potential energy , due to bond stretching and coapression teras Vb' valence aDgle bending teras 'e' iDterDal rotational or torsional teras V, DOD-bonded interactions 'nb and electrostatic or Couloab iDter actions 'e. If there are other intraaolecular aechanisas affecting 79 V, sucD as hydrogen bonding, corresponding terms say be added. 228 pp. Englisch.

Condizione: New. Print on Demand pp. 228 24 Figures, 67:B&W 6.69 x 9.61 in or 244 x 170 mm (Pinched Crown) Perfect Bound on White w/Gloss Lam.

LeatherBound. Condizione: NEW. BOOKS ARE EXEMPT FROM IMPORT DUTIES AND TARIFFS; NO EXTRA CHARGES APPLY. Leatherbound edition. Condition: New. Leather Binding on Spine and Corners with Golden leaf printing on spine. Bound in genuine leather with Satin ribbon page markers and Spine with raised gilt bands. Pages: 514. A perfect gift for your loved ones. Reprinted from 1920 edition. NO changes have been made to the original text. This is NOT a retyped or an ocr'd reprint. Illustrations, Index, if any, are included in black and white. Each page is checked manually before printing. As this print on demand book is reprinted from a very old book, there could be some missing or flawed pages, but we always try to make the book as complete as possible. Fold-outs, if any, are not part of the book. If the original book was published in multiple volumes then this reprint is of only one volume, not the whole set. IF YOU WISH TO ORDER PARTICULAR VOLUME OR ALL THE VOLUMES YOU CAN CONTACT US. Resized as per current standards. Sewing binding for longer life, where the book block is actually sewn (smythe sewn/section sewn) with thread before binding which results in a more durable type of binding. Language: Serbian Pages: 514.

Condizione: New. PRINT ON DEMAND pp. 228.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Contests.- 1 Introduction.- 1.1 What the CFF is.- 1.2 Background.- 1.3 Pre-CFF.- 1.4 The ascent of CFF.- 1.5 In the wake of CFF.- 2 The Programming System.- 2.1 Introduction.- 2.2 Outline of the programming system.- 2.2.1 Section I.- 2.2.2 Section II.- 2.2.

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Contests.- 1 Introduction.- 1.1 What the CFF is.- 1.2 Background.- 1.3 Pre-CFF.- 1.4 The ascent of CFF.- 1.5 In the wake of CFF.- 2 The Programming System.- 2.1 Introduction.- 2.2 Outline of the programming system.- 2.3 Other programmes.- 2.4 Organisation of the system.- 2.5 Input manual.- 3 Molecular Topology and Geometry.- 3.1 Molecular topology.- 3.2 Lists of interactions.- 3.3 Molecular geometry.- 4 The Conformational Energy and its Derivatives.- 4.1 Introduction.- 4.2 Intermolecular forces.- 4.3 Intramolecular forces.- 4.4 Force field parametrisation.- 4.5 Energy calculations.- 4.6 Numerical calculation of derivatives.- 5 Energy Minimisation.- 5.1 Statement of the problems.- 5.2 Minimisation algorithms.- 5.3 Unified approach to gradient algorithms.- 5.4 Evaluation of minimisation methods.- 5.5 The minimisation programme.- 5.6 Concluding remarks.- 6 Vibrational Calculations.- 6.1 The vibrational problem.- 6.2 Normal coordinates.- 6.3 Programme VIBRAT.- 6.4 Practical considerations.- 7 Optimisation of Energy Parameters.- 7.1 The basic algorithm.- 7.2 The partial derivatives.- 7.3 Implementation of the optimisation.- 8 Developing A Force Field.- 8.1 The concept of energy functions.- 8.2 Examples.- 9 References.Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 228 pp. Englisch.