Advances in quantum chemistry. Volume 70 /

• Άλλοι συγγραφείς: Sabin, John R. (Επιμελητής έκδοσης)
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Amsterdam : Academic Press, 2015.
• Θέματα: Quantum chemistry.; SCIENCE / Chemistry / Physical & Theoretical.; Electronic books.

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers...

Πίνακας περιεχομένων:

• Front Cover; Advances in Quantum Chemistry; Chapter 1: Electronic Structure Calculations for Antiferromagnetism of Cuprates Using SIWB Method for Anions in DV and a ...; Chapter 2: Quantum Chemistry in Proton-Conductors: Mechanism Elucidation and Materials Design; Chapter 3: Time-Dependent Treatment of Molecular Processes; 1. Introduction; 2. Molecular Hamiltonian; 3. The Time-Dependent Variational Principle; 4. Coherent States; 4.1. Gaussian Wave Packet as a Coherent State; 4.2. The Determinant Coherent State for N Electrons; 4.3. Vector Hartree-Fock; 4.4. Singularities; 5. Minimal END
• 6. Rendering of DynamicsAcknowledgments; References; Chapter 4: Stretching and Breaking of Chemical Bonds, Correlation of Electrons, and Radical Properties of Covalent Species; Chapter 5: Mechanistic Radiobiological Models for Repair of Cellular Radiation Damage; 1. Introduction; 1.1. Hypofractionation and Small-Dose Conventional Fractionation; 1.2. Stereotactic Radiosurgery for Large-Dose NonconventionalFractionation; 1.3. Stereotactic Body Radiotherapy with Ablative Doses; 2. Biological Aspects of Radiotherapy and the Need for Biophysical Models
• 2.1. Multifaceted Tasks of Radiobiological Models in Radiotherapy2.2. The LQ Cell Response Versus the Conditions Imposed onto Radiobiological Models; 2.2.1. Validity Restriction to Low Doses and Obstacles at High Doses; 2.2.2. Bias of the LQ Parameters; 2.3. The PLQ Model: Validity at All Doses; 3. Modeling Tumor Cell Proliferation; 3.1. The Exponential Tumor Growth Law; 3.2. The Gompertz Tumor Growth Law; 4. Cell Death Probability After Irradiation by a Dose D + dD Oncethe Same Cell Survived a Dose D; 5. Multiple Radiation-Cell Interactions in the Realm of the Poisson Statistics
• 6. Dynamics of Radiosensitivity6.1. Nested Differential Equation for SFs; 6.2. The Weilbull and the Gompertz ProbabilityDistribution Functions; 7. Methods of Discrete Mathematics for Cell Surviving Fractions; 7.1. Direct Problem: Derivation of Generating Functions from DifferenceEquations for Counting Functions; 7.2. The Linear Model for Event Counting; 7.3. The LQ Model for Event Counting; 7.4. The LQC Model for Event Counting; 7.5. The MPE Model for Event Counting; 7.6. The MSE Model for Event Counting
• 8. Inverse Problem: Reconstruction of Difference Equations for CountingFunctions from Generating Functions9. Determination of the Radiosensitivity Parameters from Experimental Data; 10. BED During Acute Irradiation; 11. Fractionation of Irradiation; 11.1. Isoeffect for Dose per Fraction Tending to Zero (d ₂ 0); 11.2. Isoeffect for Standard Dose per Fraction: dst = 2Gy; 11.3. Low-Order Approaches to BED; 11.4. Small- and Large-Dose Behaviors of Low-Order Biological Effect and SF; 12. Cell Blocking Mechanism and Reduced Effectiveness of Radiation; 12.1. Wasted Quanta, Delayed Cell Response