Efficient and Accurate Electron Propagator Methods and Algorithms (Roberto Flores-Moreno and J.V. Ortiz)Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models (R. Cammi, C. Cappelli, B. Mennucci and J. Tomasi)Chirality and Chiral Recognition (Ibon Alkorta...
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- Efficient and Accurate Electron Propagator Methods and Algorithms (Roberto Flores-Moreno and J.V. Ortiz)
- Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models (R. Cammi, C. Cappelli, B. Mennucci and J. Tomasi)
- Chirality and Chiral Recognition (Ibon Alkorta and José Elguero)
- Multiscale Modeling: A Review (Mark F Horstemeyer)
- Challenging the Multiple Minima Problem: Example of Protein Folding (Lucjan Piela)
- An Overview of s -Hole Bonding, an Important and Widely-Occurring Noncovalent Interaction (Peter Politzer and Jane S. Murray)
- s -bond Prevents Short p -bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes (Biswarup Pathak, M. Umayal and Eluvathingal D. Jemmis)
- QSAR models for Regulatory Purposes: Experiences and Perspectives (Emilio Benfenati)
- Quantitative Structure - Activity Relationships (QSARs) in the European REACH System: Could these Approaches be Applied to Nanomaterials? (Tomasz Puzyn, Danuta Leszczynska and Jerzy Leszczynski)
- Structure-Activity Relationships in Nitro-Aromatic Compounds (R.A. Vogt, S. Rahman and C.E. Crespo-Hernández)
- Molecular modeling as an auxiliary method in solving crystal structures based on diffraction techniques (Janusz Lipkowski and Kinga Suwinska)
- Dihydrogen bonds - novel feature of hydrogen bond interactions (Slawomir J. Grabowski and Jerzy Leszczynski)
- Catalytic decomposition of organophosphorus Compounds (A. Michalkova and J. Leszczynski)14. Toward understanding of hydrogen storage in single-walled carbon nanotubes by investigations of chemisorption mechanism (T. C. Dinadayalane and Jerzy Leszczynski)
- Quantum Monte Carlo for Electronic Structure (William A. Lester, Jr.)
- Sequential Monte Carlo and Quantum Mechanics Calculation of the Static Dielectric Constant of Liquid Argon(Kaline Coutinho and Sylvio Canuto)
- CO2(aq) Parameterization Through Free Energy Perturbation/Monte Carlo Simulations for use in CO2 Sequestration (Thomas J. Dick, Andrzej Wierzbicki and Jeffry D. Madura)
- Free Energy Perturbation Monte Carlo Simulations of Salt Influences on Aqueous Freezing Point Depression (Thomas J. Dick, Andrzej Wierzbicki, and Jeffry D. Madura)
- The potential energy shape for the proton motion in protonated naphthalene proton sponges (DMAN-s) and its manifestations (Z. Latajka and L. Sobczyk)
- Nucleic Acid Base Complexes: Elucidation of the Physical Origins of Their Stability (Zaneta Czyznikowska, Robert Zalesny and Manthos G. Papadopoulos)
- Conformational Flexibility of Pyrimidine Ring in Nucleic Acid Bases (Oleg V. Shishkin, Leonid Gorb and Jerzy Leszczynski)
- DNA Lesions Caused by ROS and RNOS: A Review of Interactions and Reactions Involving Guanine (P.K. Shukla and P.C. Mishra)
- Stability and Structures of the DNA Base Tetrads: A Role of Metal Ions (Jiande Gu, Jing Wang and Jerzy Leszczynski)
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