Leszczynski, Jerzy
Practical Aspects of Computational Chemistry
1. Efficient and Accurate Electron Propagator Methods and Algorithms
Roberto Flores-Moreno, J. V. Ortiz
2. Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models
R. Cammi, C. Cappelli, B. Mennucci, J. Tomasi
3. Chirality and Chiral Recognition
Ibon Alkorta, José Elguero
4. Multiscale Modeling: A Review
M. F. Horstemeyer
5. Challenging the Multiple Minima Problem: Example of Protein Folding
Lucjan Piela
6. An Overview of σ-Hole Bonding, an Important and Widely-Occurring Noncovalent Interaction
Peter Politzer, Jane S. Murray
7. σ-Bond Prevents Short π-Bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes
Biswarup Pathak, Muthaiah Umayal, Eluvathingal D. Jemmis
8. QSAR Models for Regulatory Purposes: Experiences and Perspectives
Emilio Benfenati
9. Quantitative Structure–Activity Relationships (QSARs) in the European REACH System: Could These Approaches be Applied to Nanomaterials?
Tomasz Puzyn, Danuta Leszczynska, Jerzy Leszczynski
10. Structure–Activity Relationships in Nitro-Aromatic Compounds
R. A. Vogt, S. Rahman, C. E. Crespo-Hernández
11. Molecular Modeling as an Auxiliary Method in Solving Crystal Structures Based on Diffraction Techniques
Janusz Lipkowski, Kinga Suwińska
12. Dihydrogen Bonds: Novel Feature of Hydrogen Bond Interactions
Sławomir J. Grabowski, Jerzy Leszczynski
13. Catalytic Decomposition of Organophosphorus Compounds
A. Michalkova, J. Leszczynski
14. Toward Understanding of Hydrogen Storage in Single-Walled Carbon Nanotubes by Investigations of Chemisorption Mechanism
T. C. Dinadayalane, Jerzy Leszczynski
15. Quantum Monte Carlo for Electronic Structure
William A. Lester
16. Sequential Monte Carlo and Quantum Mechanics Calculation of the Static Dielectric Constant of Liquid Argon
Kaline Coutinho, Sylvio Canuto
17. CO
Thomas J. Dick, Andrzej Wierzbicki, Jeffry D. Madura
18. Free Energy Perturbation Monte Carlo Simulations of Salt Influences on Aqueous Freezing Point Depression
Thomas J. Dick, Andrzej Wierzbicki, Jeffry D. Madura
19. The Potential Energy Shape for the Proton Motion in Protonated Naphthalene Proton Sponges (DMAN-s) and its Manifestations
Z. Latajka, L. Sobczyk
20. Nucleic Acid Base Complexes: Elucidation of the Physical Origins of Their Stability
Żaneta Czyżnikowska, Robert Zaleśny, Manthos G. Papadopoulos
21. Conformational Flexibility of Pyrimidine Ring in Nucleic Acid Bases
Oleg V. Shishkin, Leonid Gorb, Jerzy Leszczynski
22. DNA Lesions Caused by ROS and RNOS: A Review of Interactions and Reactions Involving Guanine
P. K. Shukla, P. C. Mishra
23. Stability and Structures of the DNA Base Tetrads: A Role of Metal Ions
Jiande Gu, Jing Wang, Jerzy Leszczynski
Avainsanat: Chemistry, Theoretical and Computational Chemistry
- Tekijä(t)
- Leszczynski, Jerzy
- Shukla, Manoj K.
- Julkaisija
- Springer
- Julkaisuvuosi
- 2010
- Kieli
- en
- Painos
- 1
- Sivumäärä
- 14 sivua
- Kategoria
- Eksaktit luonnontieteet
- Tiedostomuoto
- E-kirja
- eISBN (PDF)
- 9789048126873