pickabook books with huge discounts for everyone pickabook books with huge discounts for everyone
     
Email: Subscribe to news & offers:
Need assistance? Log In/Register


Item Details
Title: METHODS IN COMPUTATIONAL CHEMISTRY
Volume: Volume 2
By: Stephen Wilson
Format: Hardback

List price: £72.00
Our price: £61.20
Discount:
15% off
You save: £10.80
ISBN 10: 0306429462
ISBN 13: 9780306429460
Availability: Usually dispatched within 1-3 weeks.
 Delivery rates
Stock: Currently 0 available
Publisher: KLUWER ACADEMIC PUBLISHERS GROUP
Pub. date: 31 January, 1989
Edition: 1988 ed.
Pages: 320
Synopsis: Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip- tionofrelativisticeffectsinheavyatomshaslongbeenrecognizedasoneof the central problems ofatomic physics. Contemporary relativistic atomic structure calculations can be performed almost routinely. Recent years have seen agrowinginterestin thestudyoftheeffects ofrelativityon the structureofmolecules. Even for molecularsystemscontainingatoms from thesecondrowoftheperiodictable theenergyassociatedwith relativistic effects is often larger than that arising from electron correlation. For moleculescontainingheavieratoms relativistic effects become increasingly important,andforsystemscontainingveryheavyatomsrelativityisknown todominatemanychemicalproperties. In this volum~, one of the pioneers of relativistic atomic structure calculations,Ian P. Grant,providesadetailedsurveyofthecomputational techniquesemployedincontemporarystudiesoftheeffectsofrelativityon atomicstructure. Thisisanareaofresearchinwhichcalculationscanoften lead to a particularly impressive degreeofagreement between theoryand experiment.Furthermore, theseatomicstudies haveprovided manyofthe foundations of a fully relativistic quantum chemistry. However, the spherical symmetry ofatoms allows significantsimplificationsto bemade in their quantum mechanical treatment, simplifications which are not possibleinstudiesofmolecules. Inparticular, as is wellknown from non- relativistictheoriesofmolecularelectronicstructure,itisalmostobligatory to invoke the algebraic approximation in molecular work and use finite basis set expansions. The problem of describing relativistic effects in molecules is addressed in Chapter2 by Stephen Wilson. This chapter is devotedtoab initiorelativisticmolecularstructurecalculationsinwhichall electrons are explicitly considered. The problem of induding relativistic effects in molecular studies is also addressed in Chapters3 and 4. In Chapter 3, Odd Gropen describes the use of relativistic effective core ix x Preface potentials in calculations on molecular systems involving heavy atoms. This approach can lead to more tractable algorithms than the methods described in Chapter2 and thus significantly extends the range of applications.The use of semiempirical methods has yielded a wealth of informationabouttheinfluenceofrelativityonthechemistryoftheheavier elements. Thisimportantarea is reviewed inChapter4 by Pekka Pyykk6. Finally, inChapter5, Harry M.
Illustrations: biography
Publication: Netherlands
Imprint: Kluwer Academic / Plenum Publishers
Returns: Returnable
Some other items by this author:
A GENERAL INTRODUCTION TO PSYCHOANALYSIS (PB)
AN INTRODUCTION TO THE METHODS OF RELATIVISTIC MOLECULAR QUANTUM MECHANICS (HB)
ART + SCIENCE NOW (HB)
ART + SCIENCE NOW (PB)
BRILLOUIN-WIGNER METHODS FOR MANY-BODY SYSTEMS (HB)
BRILLOUIN-WIGNER METHODS FOR MANY-BODY SYSTEMS (PB)
CHEMICAL MODELLING
CHEMICAL MODELLING
CHEMICAL MODELLING (HB)
CHEMICAL MODELLING (HB)
CHEMISTRY BY COMPUTER (HB)
CHEMISTRY BY COMPUTER (PB)
CONQUERING COMPLEXITY IN YOUR BUSINESS (PB)
COVERBS AND COMPLEX PREDICATES IN WAGIMAN (HB)
COVERBS AND COMPLEX PREDICATES IN WAGIMAN (PB)
CRADLE OF VIOLENCE (PB)
DIGITAL MODULATION AND CODING (HB)
FEUDING, CONFLICT AND BANDITRY IN NINETEENTH-CENTURY CORSICA
FEUDING, CONFLICT AND BANDITRY IN NINETEENTH-CENTURY CORSICA (HB)
FEUDING, CONFLICT AND BANDITRY IN NINETEENTH-CENTURY CORSICA (PB)
FINDING YOUR PLACE IN GOD''S PLAN
FLUTTERING HANDS (PB)
FRONTIERS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS (HB)
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS
GALBRAITH'S BUILDING AND LAND MANAGEMENT LAW FOR STUDENTS (PB)
GROWTH IN THE AGE OF COMPLEXITY: STEERING YOUR COMPANY TO INNOVATION, PRODUCTIVITY, AND PROFITS IN THE NEW ERA OF COMPETITION (HB)
HANDBOOK OF MOLECULAR PHYSICS AND QUANTUM CHEMISTRY (HB)
HARD LUCK
IDEOLOGY AND EXPERIENCE (PB)
IMITATING THE SINGING OF DRAGONS (HB)
INFORMATION ARTS (PB)
INTRODUCING THE FREUD WARS
INTRODUCING THE FREUD WARS (PB)
INTRODUCING THE FREUD WARS (PB)
ISAAC ROSENBERG (PB)
MAKING MEN (HB)
MEMORIES OF THE FUTURE (PB)
METHODS IN COMPUTATIONAL CHEMISTRY (HB)
METHODS IN COMPUTATIONAL CHEMISTRY (HB)
METHODS IN COMPUTATIONAL CHEMISTRY (HB)
METHODS IN COMPUTATIONAL CHEMISTRY (HB)
METHODS IN COMPUTATIONAL CHEMISTRY (PB)
METHODS IN COMPUTATIONAL CHEMISTRY (PB)
METHODS IN COMPUTATIONAL CHEMISTRY (PB)
METHODS IN COMPUTATIONAL MOLECULAR PHYSICS (PB)
METHODS IN COMPUTATIONAL MOLECULAR PHYSICS (PB)
MY BIRDS
NATURAL SELECTION
ORAL SEDATION FOR DENTAL PROCEDURES IN CHILDREN (HB)
ORAL SEDATION FOR DENTAL PROCEDURES IN CHILDREN (PB)
PROBLEM SOLVING IN COMPUTATIONAL MOLECULAR SCIENCE (PB)
RECENT PROGRESS IN HOMOTOPY THEORY (PB)
RELATED STRANGERS
REPTILES OF AUSTRALIA CD-ROM, VERSION 3: TERRESTRIAL REPTILES (CD)
SEE THE ELEPHANT FLY (PB)
SELL PHOTOS ONLINE (PB)
SIGMUND FREUD
SIGMUND FREUD (AUD)
SIGMUND FREUD (PB)
SIGMUND FREUD (PB)
THE BLOOMSBURY BOOK OF THE MIND (PB)
THE CRADLE OF VIOLENCE (PB)
THE EFFECTS OF RELATIVITY IN ATOMS, MOLECULES, AND THE SOLID STATE (PB)
THE FUNDAMENTALS OF ELECTRON DENSITY, DENSITY MATRIX AND DENSITY FUNCTIONAL THEORY IN ATOMS, MOLECULES AND THE SOLID STATE (HB)
THE FUNDAMENTALS OF ELECTRON DENSITY, DENSITY MATRIX AND DENSITY FUNCTIONAL THEORY IN ATOMS, MOLECULES AND THE SOLID STATE (PB)
THE INTERPRETATION OF DREAMS
THE INTERPRETATION OF DREAMS (PB)
THE MEANS OF NAMING
THE MEANS OF NAMING
THE MEANS OF NAMING
THE MEANS OF NAMING
THE MEANS OF NAMING
THE MEANS OF NAMING (HB)
THE MEANS OF NAMING (PB)
THE PERSISTENCE OF TASTE (HB)
THE PHILOSOPHY OF SCIENCE
THE SILENT CRY (PB)
THE WILEY HANDBOOK ON THE COGNITIVE NEUROSCIENCE OF ADDICTION (HB)
THEORETICAL CHEMISTRY AND PHYSICS OF HEAVY AND SUPERHEAVY ELEMENTS (HB)
THEORETICAL CHEMISTRY AND PHYSICS OF HEAVY AND SUPERHEAVY ELEMENTS (PB)
TOPICS IN THE THEORY OF CHEMICAL AND PHYSICAL SYSTEMS (HB)
UNFAIR TERMS IN CONSUMER CONTRACTS REGULATIONS (PB)

TOP SELLERS IN THIS CATEGORY
Alchemy & Mysticism (Hardback)
By: Alexander Roob
Taschen GmbH
Our Price : £10.94
more details
Photographic Card Deck Of The Elements (Cards)
By: Theodore Gray
Black Dog & Leventhal Publishers Inc
Our Price : £14.59
more details
WJEC Chemistry for AS Level: Student Book (Paperback)
By: Peter Blake, Elfed Charles, Kathryn Foster
Illuminate Publishing
Our Price : £23.28
more details
Chemistry Study Guide: Oxford IB Diploma Programme (Paperback)
By: Geoff Neuss
Oxford University Press
Our Price : £20.99
more details
Cambridge International AS and A Level Chemistry Workbook with CD-ROM (Mixed media product)
By: Roger Norris
Cambridge University Press
Our Price : £12.81
more details
BROWSE FOR BOOKS IN RELATED CATEGORIES
 MATHEMATICS AND SCIENCE
 chemistry


Information provided by www.pickabook.co.uk
SHOPPING BASKET
  
Your basket is empty
  Total Items: 0
 

Up to 35% off New Titles
Tiny Histories
By: DIXE WILLS
A witty guide to the seemingly insignificant coincidences, decisions and acts that have shaped British history.
add to basket

New Title
Paddington 2: The Story of the Movie
By:
Paddington returns for another fun-filled instalment of marmalade and mishaps in a star-studded new movie!
add to basket