Book Chapters
Chapter: Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach.
Jaroslav V. Burda,Jiri Šponer, Jerzy Leszczynski
Handbook of Computational Chemistry
2012,
3,
1277–1308.
Chapter: Computational Modeling of DNA and RNA Fragments.
Jirí Sponer, Manoj K. Shukla, Jerzy Leszczynski
Handbook of Computational Chemistry
2012,
3,
1257–1275.
Chapter: Fundamental Structural, Electronic, and Chemical Properties of Carbon Nanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives.
Tandabany C. Dinadayalane, Jerzy Leszczynski
Handbook of Computational Chemistry
2012,
2,
793–867.
Chapter: Towards Involvement of Interactions of Nucleic Acid Bases with Minerais in the Origin of Life: Quantum Chemical Approach
Andrea Michalkova and Jerzy Leszczynski
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends
2012,
1,
645-672.
Chapter: Nanoparticles: Towards Predicting Their Toxicity and Physico-Chemical Properties
B. Rasulev, D. Leszczynska, J. Leszczynski
Advanced Methods and Applications in Chemoinformatics: Research Progress and New Applications
2011,
-,
92-110.
Chapter: Nucleic Acids: Environmental Chemistry, Structures and Interactions as Revealed by Computational Studies
M Shukla and J Leszczynski
Encyclopedia of Environmental Health
2011,
x,
193-201.
Chapter: Structure and bonding of simple manganese-containing compounds
M. T. Nguyen, D. Majumdar, J. Leszczynski, S. Roszak
PATAI's Chemistry of Functional Groups
2011,
-,
2-41.
Chapter: Excited State Structure and Properties of Hydrated DNA Bases and Base Pairs
M.K. Shukla and J. Leszczynski
Hydrogen Bonding and Transfer in the Excited States
2010,
0,
0.
Chapter: Quantitative Structure-Activity Relationships (QSARs) in the European REACH System: Could These Approaches be Applied to Nanomaterials?
Puzyn, T., Leszczynska, D., Leszczynski, J.
Practical Aspects of Computational Chemistry. Methods, Concepts and Applications
2009,
9,
201.
Chapter: Stability and Structures of the DNA Base Tetrads: A Role of Metal Ions
Gu, J., Wang, J., Leszczynski, J.
Practical Aspects of Computational Chemistry. Methods, Concepts and Applications
2009,
23,
445.
Chapter: Conformational Flexibility of Pyrimidine Ring in nucleic Acid Bases
Shishkin, O.V., Gorb, L., Leszczynski, J.
Practical Aspects of Computational Chemistry. Methods, Concepts and Applications
2009,
21,
399.
Chapter: Toward Understanding of hydrogen Storage in Single-Walled Carbon Nanotubes by Investigation of Chemisorption Mechanism
Dinadayalane, T.C., Leszczynski, J.
Practical Aspects of Computational Chemistry. Methods, Concepts and Applications
2009,
14,
297.
Chapter:Catalytic Decomposition of Organophosphorus Compounds
Michalkova, A., Leszczynski, J.
Practical Aspects of Computational Chemistry. Methods, Concepts and Applications
2009,
13,
277.
Chapter:Dihydrogen Bonds:Novel Features of hydrogen Bond interactions
Grabowski, S., Leszczynski, J.
Practical Aspects of Computational Chemistry. Methods, Concepts and Applications
2009,
12,
255.
Chapter: New Approach to QSPR Modeling of Fullerene C60 Solubility in Organic Solvents: An Application of SMILES-Based Optimal Descriptors
Toropov, A.A., Rasulev, B.F., Leszczynska, D., Leszczynski, J.
Medicinal Chemistry and Pharmacological Potential of Fullerenes and Carbon Nanotubes
2008,
14,
337.
Chapter: Computational Study of UV-Induced Excitations of DNA Fragments
M.K. Shukla and J. Leszczynski
Radiation Induced Molecular Phenomena in Nucleic Acids
2008,
0,
369-393.
Chapter: Radiation Induced Molecular Phenomena in Nucleic Acids: A Brief Introduction
M.K. Shukla and J. Leszczynski
Radiation Induced Molecular Phenomena in Nucleic Acids
2008,
0,
1-14.
Chapter: A Quest for Efficient Methods of Decomposition of Organophosphorous Compounds: Modeling Adsorption and Decomposition Processes
” A. Michalkova, L. Gorb and J. Leszczynski
Molecular Materials with Specific Interactions
2007,
4,
565-592.
Chapter: Toward nanomaterials: Structural, energetic and reactivity aspects of single-walled carbon nanotubes
Dinadayalane, T.C., Leszczynski, J.
Nanomaterials: Design and Simulation
2007,
7,
167-199.
Chapter: Comparative Study of Quantum Mechanical Methods Related to Nucleic Acid Bases: Electronic Spectra, Excited State Structures and Interactions
M.K. Shukla and J. Leszczynski
“Computational Studies of RNA and DNA”, J. Sponer and F. Lankas (Editors) in the book series “Challenges and Advances in Computational Chemistry and Physics,” J. Leszczynski (Editor)
2006,
2,
433-461.
Chapter: A Theoretical Study on the Cycloadditions of O-Quinodimethane to the Sidewalls of (5,5) Armchair Single-walled Carbon Nanotube
T. C. Dinadayalane and J. Leszczynski
Proceedings of "Construction, Material Science, Machinery Construction"
2006,
36,
58.
Chapter: Quantum Chemical Study of the Mechanism of Bonding in Carboniles of Transition Metals at the Density Functional Theory Level
V.I. Bolshakov, V.V. Rossihin, E.O. Voronkov, S.I. Okovytyy, J. Leszczynski
Proceedings of "Construction, Material Science, Machinery Construction"
2006,
36,
53.
Chapter: Guanine: Structures, Properties and Interactions – From the Isolated Ground State to Excited States in Polar Solvent
.K. Shukla and J. Leszczynski
Trends and Perspectives in Modern Computational Science
2006,
6,
209-221.
Chapter: Is a Dihydrogen Bond a Unique Phenomenon?
S. J. Grabowski and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
2005,
9,
195-235.
Chapter: Modelling of the Stabilization of the Complex of a Single Walled (5,5) Carbon Nanotube C60H20 with Cumulenic or Acetylenic Chain
T.C. Dinadayalane, L. Gorb, H. Dodziuk, and J. Leszczynski
Electronic Properties of Novel Nanostructures: Proceedings: XIX International Winterschool/Euroconference
2005,
1,
436-439.
Chapter: From the Gas to Condensed Phases. Comprehensive Theoretical Investigations of the Formation of Clusters
J. Leszczynski, S. Roszak, and P. Wielgus
Lecture series on Computer and Computational Sciences
2005,
3,
85-92.
Chapter: Computer Simulation of Fullerenes and Fullerites
I. Yanov and J. Leszczynski
Computational Materials Science (Theoretical and Computational Chemistry Series)
2004,
15,
85-118.
Chapter: Clusters, the Intermediate State of Matter
S. Roszak and J. Leszczynski
Computational Materials Science (Theoretical and Computational Chemistry Series)
2004,
15,
67-84.
Chapter: The Search for Chemotherapy Alternatives: Computational Study of the Properties of Cisplatin and Cisplatin Analogs
G. Hill Jr, J. Burda, J. Leszczynski
Metal Ions in Biology and Medicine
2004,
8,
74-78.
Chapter: Stability and Structures of the DNA Base tetrads: A Role of Metal Ions
J. Leszczynski and J. Gu
Metal Ions in Biology and Medicine
2004,
8,
260-263.
Chapter: Excited States of Nucleic Acid Bases
M.K. Shukla and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
2003,
8,
249-344.
Chapter: Interactions of Model Organic Species and Explosives with Clay Minerals
A. Michalkova, L. Gorb and J. Leszczynski
Energetic Materials (Theoretical and Computational Chemistry Series)
2003,
12,
341-388.
Chapter: Imperfect Fullerene Molecules. An ab initio Study
I. Yanov and J. Leszczynski
Molecular Low Dimensional and Nanostructured Materials for Advanced Applications
2002,
59,
247-250.
Chapter: From Molecules to Supermolecules: A Theoretical Approach
J. Leszczynski
Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals
2002,
68,
293-318.
Chapter: Advances in Quantum Chemistry
I.G. Kaplan, S. Roszak, J. Leszczynski
Binding in Clusters with Closed-Subshell Atoms (Alkaline-Earth Elements)
2001,
40,
257-278.
Chapter: Ionic Clusters with Weakly Interacting Components-Magic Numbers Rationalized by the Shell Structure
S. Roszak and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
2001,
6,
179-196.
Chapter: Hydrogen Bonding and Tautomerism in Isolated and Hydrated DNA Bases
L. Gorb and J. Leszczynski
“Large-Scale Scientific Computations of Engineering and Environmental Problems II” of Notes on Numerical Fluid Mechanics Series
2000,
73,
328-334.
Chapter: Isolated, Solvated and Complexed Nucleic Acid Bases: Structures and Properties
J. Leszczynski
Advances in Molecular Structure Research
2000,
6,
209-265.
Chapter: Molecular Structure and Vibrational IR Spectra of Fluoro, Chloro and Bromosubstituted Methanes, Silanes and Germanes: An ab initio Approach
J.S. Kwiatkowski, J. Leszczynski
Computational Chemistry: Reviews of Current Trends
2000,
5,
243-306.
Chapter: Aromatic DNA Base Stacking and H-bonding
J. Sponer, P. Hobza, and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
2000,
5,
171-210.
Chapter: Interactions of Metal Cations with Monomers, Dimers, Triplexes and Tetrads of Nucleic Acid Bases: New Findings from Reliable Theoretical ab initio Studies
J. Leszczynski
Metal Ions in Biology and Medicine
2000,
6,
364-366.
Chapter: Explosive Advances in Computational Chemistry – Applications of Parallel Computing in Biomedical and Material Science Research
L. Gorb, I. Yanov, and J. Leszczynski
Parallel Computing. Fundamentals & Applications
2000,
-,
18-31.
Chapter: Non-adiabatic molecular Hamiltonian. Canonical transformation coupling electronic and vibrational motions
I. Hubac, P. Babinec, M. Polasek, J. Urban, P. Mach, J. Masik, and J. Leszczynski
Quantum Systems in Chemistry and Physics
2000,
1,
383-400.
Chapter: Computational Approaches to the Studies of the Interactions of Nucleic Acid Bases
J. Sponer, P. Hobza, and J. Leszczynski
“Computational Molecular Biology” of Theoretical and Computational Chemistry Book Series
1999,
8,
85-117.
Chapter: Current Trends in Modeling Interactions of DNA Fragments With Polar Solvents
L. Gorb and J. Leszczynski
“Computational Molecular Biology” of Theoretical and Computational Chemistry Book Series
1999,
8,
167-209.
Chapter: Chemistry of the Liquid State: Current Trends in Quantum-Chemical Modeling
L. Gorb and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
1999,
3,
179-213.
Chapter: Ab Initio Study on Tautomeric Properties of Nucleic Acid Bases
J. Leszczynski
The Encyclopedia of Computational Chemistry
1998,
5,
2951-2960.
Chapter: Molecular Structure and Infrared Spectra of the DNA Bases and Their Derivatives: Theory and Experiment
M. J. Nowak, L. Lapinski, J. S. Kwiatkowski, and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
1997,
2,
140-216.
Chapter:Interactions of DNA bases and the structure of DNA. A nonempirical ab initio study with inclusion of electron correlation
J. Sponer, P. Hobza and J. Leszczynski
Computational Chemistry: Reviews of Current Trends
1996,
1,
185-218.
Chapter: Theoretical Quantum Mechanical Study on Soot Formation Process
J. Leszczynski
Combustion Efficiency & Air Quality
1995,
-,
103-136.
-
J. Leszczynski, A.Nowek, J. Koziol
Computational Quantum Chemistry. SCCC-MO Method
1988,
-,
-.
Chapter: Theoretically Improved INDO Method Including Resonance Integrals Derived from Heisenberg Equation of Motion for Ground and Excited State Properties of f-Electron Elements
J. Leszczynski
Rare Earths Spectroscopy
1985,
-,
191-195.