Check order status

Become part of a community of book lovers from all over the world and get access to a whole bunch of benefits. Create an account for free

DPD courier 4.99 € GLS courier 9.99 €

Contact

How to shop

Help

My account

▸ Empty :-(

Consistent Force Field

Name: Consistent Force Field
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 06620963
Price: 51.78 EUR
Availability: InStock
Author: K. Rasmussen
ISBN: 9783540083443

K. Rasmussen

Language

English

Book Paperback

Libristo code: 06620963

Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, July 1977

In this chapter ve shall discuss the calculation of potential energy associated vith molecular confo... Full description

Libristo code: 06620963

125 b

51.78 €

In stock at our supplier Shipping in 8-11 days

Up to 30 days for returns

Customers also purchased

Empire romain Copycat

Paperback

7.08 €

Puzzle 500 PQ Japońska ceremonia picia herbaty 113378

Jigsaw puzzle

10.23 €

Idiota Dostojewski Fiodor

Book

13.77 €

verdetto Graham Moore

Paperback

30.90 €

DE QBASIC A VISUAL BASIC CURSO PROGRAM. CEBALLOS

Book

28.97 €

I Love to Tell the Truth (English Serbian Bilingual Book for Kids) Kidkiddos Books

Paperback

16.61 €

LOVECRAFT

Hardback

12.05 €

Bilanzanalyse Mit MS Access Jorg Hartung

Paperback

51.98 €

aufgeschrieben Hannah C. Rosenblatt

Hardback

15.80 €

Godfather Artists Audio

Audio CD

8.91 €

Kredki bezdrzewne

Stationery items

2.52 €

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.