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Record Nr. |
UNINA9910450829303321 |
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Titolo |
Molecular orbital calculations for biological systems [[electronic resource] /] / edited by Anne-Marie Sapse |
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Pubbl/distr/stampa |
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New York, : Oxford University Press, 1998 |
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ISBN |
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0-19-756089-X |
1-280-52822-2 |
9786610528226 |
0-19-535684-5 |
1-4294-0426-4 |
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Descrizione fisica |
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1 online resource (248 p.) |
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Collana |
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Topics in physical chemistry |
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Altri autori (Persone) |
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Disciplina |
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541.280285 |
547.70448 |
547/.70448 |
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Soggetti |
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Molecular orbitals |
Biomolecules |
Peptides |
Amino acids |
Antineoplastic agents |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Previously issued in print: 1998. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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Contents; Contributors; Introduction; 1 Ab Initio Calculations; 2 An Introduction to the Theoretical Basis of Semi-Empirical Quantum-Mechanical Methods for Biological Chemists; 3 The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions; 4 Applications of Density Functional Theory to Biological Systems; 5 On Comparing Experimental and Calculated Structural Parameters; 6 Ab Initio Studies of Anti-Cancer Drugs; 7 Ab Initio Calculations of Amino Acids and Peptides; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; R; S; T; U; V; W; X; Z |
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Sommario/riassunto |
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This is a hands-on guide for the growing number of researchers in organic chemistry, biochemistry and molecular biology who would like |
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