Semiempirical Methods of Electronic Structure Calculation: Part Techniques (Modern Theoretical Chemistry) (Volumes 7, 8)
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Semiempirical Methods of Electronic Structure Calculation: Part Techniques (Modern Theoretical Chemistry) (Volumes 7, 8) (1977)
EN HC USISBN: 9780306335075 bzw. 0306335077, Band: 78, in Englisch, Springer, gebundenes Buch, gebraucht.
Von Händler/Antiquariat, Anybook Ltd. [312675], Lincoln, United Kingdom.
Volumes 7, 8. 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.
Volumes 7, 8. 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.
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Semiempirical Methods of Electronic Structure Calculation: Part Techniques (Modern Theoretical Chemistry) (Volumes 7, 8) (1977)
EN HCISBN: 9780306335075 bzw. 0306335077, Band: 78, in Englisch, Springer, gebundenes Buch.
Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, Versandkosten nach: USA.
Von Händler/Antiquariat, Anybook Ltd.
Springer, 1977. Volumes 7, 8. 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.
Von Händler/Antiquariat, Anybook Ltd.
Springer, 1977. Volumes 7, 8. 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.
3
Techniques: 007 (Modern Theoretical Chemistry) (1977)
EN HC USISBN: 9780306335075 bzw. 0306335077, in Englisch, Plenum Publishing Corporation, gebundenes Buch, gebraucht.
Von Händler/Antiquariat, Anybook Ltd. [312675], Lincoln, United Kingdom.
This book has hardback covers. Ex-library, With usual stamps and markings, In fair condition, suitable as a study copy.
This book has hardback covers. Ex-library, With usual stamps and markings, In fair condition, suitable as a study copy.
4
Semiempirical Methods of Electronic Structure Calculation, Part A: Techniques (Modern Theoretical Chemistry, Vol. 7) (1977)
EN HC US FEISBN: 9780306335075 bzw. 0306335077, Band: 7, in Englisch, 274 Seiten, Plenum, gebundenes Buch, gebraucht, Erstausgabe.
Lieferung aus: Vereinigte Staaten von Amerika, Usually ships in 1-2 business days.
Von Händler/Antiquariat, anybookltduk.
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements of the periodic table remain virtually untouched due to the large numbers of electrons involved. Almost the entire class of molecules of real biological interest is simply out of the question. In general, the theoretician is reduced to model systems of variable appositeness in most of these fields. The fundamental problem, from a basic computational point of view, is that large molecules require large numbers of basis functions, whether Slater type orbitals or Gaussian functions suitably contracted, to provide even a modestly accurate description of the molecular electronic environment. This leads to the necessity of dealing with very large matrices and numbers of integrals within the Hartree-Fock approximation and quickly becomes both numerically difficult and uneconomic. Hardcover, Ausgabe: 1, Label: Plenum, Plenum, Produktgruppe: Book, Publiziert: 1977-04-01, Studio: Plenum, Verkaufsrang: 6788519.
Von Händler/Antiquariat, anybookltduk.
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements of the periodic table remain virtually untouched due to the large numbers of electrons involved. Almost the entire class of molecules of real biological interest is simply out of the question. In general, the theoretician is reduced to model systems of variable appositeness in most of these fields. The fundamental problem, from a basic computational point of view, is that large molecules require large numbers of basis functions, whether Slater type orbitals or Gaussian functions suitably contracted, to provide even a modestly accurate description of the molecular electronic environment. This leads to the necessity of dealing with very large matrices and numbers of integrals within the Hartree-Fock approximation and quickly becomes both numerically difficult and uneconomic. Hardcover, Ausgabe: 1, Label: Plenum, Plenum, Produktgruppe: Book, Publiziert: 1977-04-01, Studio: Plenum, Verkaufsrang: 6788519.
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Semiempirical Methods of Electronic Structure Calculation, Part a: Techniques (Modern Theoretical Ch (1977)
EN HC NWISBN: 9780306335075 bzw. 0306335077, in Englisch, Plenum, gebundenes Buch, neu.
Lieferung aus: Vereinigte Staaten von Amerika, zzgl. Versandkosten, Verandgebiet: DOM.
Von Händler/Antiquariat, More Books, FL, MIAMI, [RE:3].
Hardcover.
Von Händler/Antiquariat, More Books, FL, MIAMI, [RE:3].
Hardcover.
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