東華大學圖書館 |

Computational inorganic and bioinorganic chemistry /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Computational inorganic and bioinorganic chemistry // editors, Edward I. Solomon, Robert A. Scott, R. Bruce King.
其他作者:	Solomon, Edward I.
出版者:	Chichester, West Sussex, U.K. ;Wiley, : 2009.,
面頁冊數:	xv, 594 p. :ill. (some col.) ;29 cm.
內容註:	Ch. 1. Significance of Logic -- 1.1. Problem of Abstraction -- 1.2. Problem of Dualism -- 1.3. Problem of Incommensurability -- 1.4. Problem of Boundaries -- 1.5. Examples for Discussion -- 1.6. Premises and Conclusions -- 1.7. Exercises -- Ch. 2. What is Logic? -- 2.1. Study of Logic -- 2.2. Concepts of Truth and Inference -- 2.3. Process of Inquiry -- 2.4. Exercises -- 2.5. Argument as Inquiry -- 2.6. Exercises -- Ch. 3. Communicative Action -- 3.1. Strategic and Communicative Action -- 3.2. Exercises -- 3.3. Lifeworlds -- 3.4. Exercises -- 3.5. Validity -- 3.6. Fallacies -- 3.7. Exercises -- Ch. 4. Theory of the Syllogism -- 4.1. Nominalism, Realism, and Abduction -- 4.2. Theory of the Syllogism -- 4.3. Standard Form Propositions -- 4.4. Exercises -- 4.5. Direct Inference -- 4.6. Exercises -- 4.7. Validity of Syllogisms -- 4.8. Exercises -- Ch. 5. Induction and the Limits of Reason -- 5.1. Limits of the Syllogism -- 5.2. Principles of Induction -- 5.3. Analogical Arguments -- 5.4. Exercises -- 5.5. Causal Arguments -- 5.6. Exercises -- 5.7. Probability -- 5.8. Exercises -- Ch. 6. Principles of Order and Deduction -- 6.1. Introduction -- 6.2. Modes of Action -- 6.3. Principles of Order -- 6.4. Logic and the Act of Judgment -- 6.5. Deduction: The Logic of Assertions -- 6.6. Graphical Proofs of Validity -- 6.7. Exercises -- Ch. 7. Overview of Quantified Logic -- 7.1. Introduction -- 7.2. Representing Relations -- 7.3. Meaning of Quantifiers -- 7.4. Exercises -- 7.5. Rules of Quantificational Logic -- 7.6. Exercises -- 7.7. Validity of Syllogisms -- 7.8. Graphical Proofs of Validity -- 7.9. Exercises -- 7.10. Border Agents and the Problems of Logic.
標題:	Quantum biochemistry. -
ISBN:	9780470699973 (hbk.) :

Computational inorganic and bioinorganic chemistry /
Computational inorganic and bioinorganic chemistry /editors, Edward I. Solomon, Robert A. Scott, R. Bruce King. - Chichester, West Sussex, U.K. ;Wiley,2009. - xv, 594 p. :ill. (some col.) ;29 cm. - EIC books. - EIC books..

Includes bibliographical references and index.

Ch. 1. Significance of Logic -- 1.1. Problem of Abstraction -- 1.2. Problem of Dualism -- 1.3. Problem of Incommensurability -- 1.4. Problem of Boundaries -- 1.5. Examples for Discussion -- 1.6. Premises and Conclusions -- 1.7. Exercises -- Ch. 2. What is Logic? -- 2.1. Study of Logic -- 2.2. Concepts of Truth and Inference -- 2.3. Process of Inquiry -- 2.4. Exercises -- 2.5. Argument as Inquiry -- 2.6. Exercises -- Ch. 3. Communicative Action -- 3.1. Strategic and Communicative Action -- 3.2. Exercises -- 3.3. Lifeworlds -- 3.4. Exercises -- 3.5. Validity -- 3.6. Fallacies -- 3.7. Exercises -- Ch. 4. Theory of the Syllogism -- 4.1. Nominalism, Realism, and Abduction -- 4.2. Theory of the Syllogism -- 4.3. Standard Form Propositions -- 4.4. Exercises -- 4.5. Direct Inference -- 4.6. Exercises -- 4.7. Validity of Syllogisms -- 4.8. Exercises -- Ch. 5. Induction and the Limits of Reason -- 5.1. Limits of the Syllogism -- 5.2. Principles of Induction -- 5.3. Analogical Arguments -- 5.4. Exercises -- 5.5. Causal Arguments -- 5.6. Exercises -- 5.7. Probability -- 5.8. Exercises -- Ch. 6. Principles of Order and Deduction -- 6.1. Introduction -- 6.2. Modes of Action -- 6.3. Principles of Order -- 6.4. Logic and the Act of Judgment -- 6.5. Deduction: The Logic of Assertions -- 6.6. Graphical Proofs of Validity -- 6.7. Exercises -- Ch. 7. Overview of Quantified Logic -- 7.1. Introduction -- 7.2. Representing Relations -- 7.3. Meaning of Quantifiers -- 7.4. Exercises -- 7.5. Rules of Quantificational Logic -- 7.6. Exercises -- 7.7. Validity of Syllogisms -- 7.8. Graphical Proofs of Validity -- 7.9. Exercises -- 7.10. Border Agents and the Problems of Logic.

"Over the past several decades there have been major advances in our ability to evaluate computationally the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore's Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated based on experiment. When calculations are correlated to and supported by experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications by many of the leaders in the field. Part One of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part Two focuses on applications in bioinorganic chemistry and Part Three discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. Have the content of this Volume and the complete content of the Encyclopedia of Inorganic Chemistry at your fingertips! Visit: www.mrw.interscience.wiley.com/EIC/"--Provided by publisher.

ISBN: 9780470699973 (hbk.) :US167.99

LCCN: 2009025915Subjects--Topical Terms:

592630
Quantum biochemistry.

LC Class. No.: QP517.Q34 / C66 2009

Dewey Class. No.: 541/.28

Computational inorganic and bioinorganic chemistry /
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245 0 0 $a Computational inorganic and bioinorganic chemistry / $c editors, Edward I. Solomon, Robert A. Scott, R. Bruce King.
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300 $a xv, 594 p. : $b ill. (some col.) ; $c 29 cm.
490 1 $a EIC books
504 $a Includes bibliographical references and index.
505 0 # $a Ch. 1. Significance of Logic -- 1.1. Problem of Abstraction -- 1.2. Problem of Dualism -- 1.3. Problem of Incommensurability -- 1.4. Problem of Boundaries -- 1.5. Examples for Discussion -- 1.6. Premises and Conclusions -- 1.7. Exercises -- Ch. 2. What is Logic? -- 2.1. Study of Logic -- 2.2. Concepts of Truth and Inference -- 2.3. Process of Inquiry -- 2.4. Exercises -- 2.5. Argument as Inquiry -- 2.6. Exercises -- Ch. 3. Communicative Action -- 3.1. Strategic and Communicative Action -- 3.2. Exercises -- 3.3. Lifeworlds -- 3.4. Exercises -- 3.5. Validity -- 3.6. Fallacies -- 3.7. Exercises -- Ch. 4. Theory of the Syllogism -- 4.1. Nominalism, Realism, and Abduction -- 4.2. Theory of the Syllogism -- 4.3. Standard Form Propositions -- 4.4. Exercises -- 4.5. Direct Inference -- 4.6. Exercises -- 4.7. Validity of Syllogisms -- 4.8. Exercises -- Ch. 5. Induction and the Limits of Reason -- 5.1. Limits of the Syllogism -- 5.2. Principles of Induction -- 5.3. Analogical Arguments -- 5.4. Exercises -- 5.5. Causal Arguments -- 5.6. Exercises -- 5.7. Probability -- 5.8. Exercises -- Ch. 6. Principles of Order and Deduction -- 6.1. Introduction -- 6.2. Modes of Action -- 6.3. Principles of Order -- 6.4. Logic and the Act of Judgment -- 6.5. Deduction: The Logic of Assertions -- 6.6. Graphical Proofs of Validity -- 6.7. Exercises -- Ch. 7. Overview of Quantified Logic -- 7.1. Introduction -- 7.2. Representing Relations -- 7.3. Meaning of Quantifiers -- 7.4. Exercises -- 7.5. Rules of Quantificational Logic -- 7.6. Exercises -- 7.7. Validity of Syllogisms -- 7.8. Graphical Proofs of Validity -- 7.9. Exercises -- 7.10. Border Agents and the Problems of Logic.
520 # $a "Over the past several decades there have been major advances in our ability to evaluate computationally the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore's Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated based on experiment. When calculations are correlated to and supported by experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications by many of the leaders in the field. Part One of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part Two focuses on applications in bioinorganic chemistry and Part Three discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. Have the content of this Volume and the complete content of the Encyclopedia of Inorganic Chemistry at your fingertips! Visit: www.mrw.interscience.wiley.com/EIC/"--Provided by publisher.
650 # 0 $a Quantum biochemistry. $3 592630
650 # 0 $a Quantum chemistry. $3 519235
650 # 0 $a Bioinorganic chemistry $x Data processing. $3 1305870
650 # 0 $a Chemistry, Inorganic $x Data processing. $3 1305871
700 1 # $a Solomon, Edward I. $3 1305869
700 1 # $a Scott, Robert A., $d 1953- $3 908768
700 1 # $a King, R. Bruce. $3 523885
830 0 $a EIC books. $3 1305868