S r niketic (12 risultati)
Editore: Springer-Verlag NULL
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Da: Anybook.com, Lincoln, Regno UnitoAnybook.com
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EUR 15,92 spedizioneSpedito da Regno Unito a U.S.A.Quantità: 1 disponibili
Aggiungi al carrelloCondizione: 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.
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Da: Basi6 International, Irving, TX, U.S.A.Basi6 International
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EUR 60,49
Spedizione gratuitaSpedito in U.S.A.Quantità: 10 disponibili
Condizione: Brand New. New. Delivery takes 25-30 days. Excellent Customer Service.
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Da: Ria Christie Collections, Uxbridge, Regno UnitoRia Christie Collections
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EUR 61,24
EUR 14,02 spedizioneSpedito da Regno Unito a U.S.A.Quantità: Più di 20 disponibili
Condizione: New. In.
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Da: Chiron Media, Wallingford, Regno UnitoChiron Media
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EUR 57,49
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PF. Condizione: New.
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Da: Books Puddle, New York, NY, U.S.A.Books Puddle
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EUR 77,25
EUR 3,45 spedizioneSpedito in U.S.A.Quantità: 4 disponibili
Condizione: New. pp. 228.
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Da: AHA-BUCH GmbH, Einbeck, GermaniaAHA-BUCH GmbH
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EUR 53,49
EUR 62,01 spedizioneSpedito da Germania a U.S.A.Quantità: 1 disponibili
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.
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Da: Mispah books, Redhill, SURRE, Regno UnitoMispah books
Contatta il venditoreVenditore con 4 stelleCondizione: Usato - Molto buono
EUR 118,14
EUR 29,26 spedizioneSpedito da Regno Unito a U.S.A.Quantità: 1 disponibili
Paperback. Condizione: Very Good. Dust Jacket may NOT BE INCLUDED.CDs may be missing. SHIPS FROM MULTIPLE LOCATIONS. book.
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Da: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, GermaniaBuchWeltWeit Ludwig Meier e.K.
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EUR 53,49
EUR 23,00 spedizioneSpedito da Germania a U.S.A.Quantità: 2 disponibili
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 describ…ed 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.
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Da: Majestic Books, Hounslow, Regno UnitoMajestic Books
Contatta il venditoreVenditore con 4 stelleCondizione: Nuovo
EUR 76,71
EUR 7,61 spedizioneSpedito da Regno Unito a U.S.A.Quantità: 4 disponibili
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.
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Da: Biblios, frankfurt am main, HESSE, GermaniaBiblios
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EUR 78,74
EUR 9,95 spedizioneSpedito da Germania a U.S.A.Quantità: 4 disponibili
Condizione: New. PRINT ON DEMAND pp. 228.
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Da: moluna, Greven, Germaniamoluna
Contatta il venditoreVenditore con 5 stelleCondizione: Nuovo
EUR 48,37
EUR 48,99 spedizioneSpedito da Germania a U.S.A.Quantità: Più di 20 disponibili
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.
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Da: buchversandmimpf2000, Emtmannsberg, BAYE, Germaniabuchversandmimpf2000
Contatta il venditoreVenditore con 5 stelleCondizione: Nuovo
EUR 53,49
EUR 60,00 spedizioneSpedito da Germania a U.S.A.Quantità: 1 disponibili
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 programme…s.- 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.
