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Kategorie szczegółowe BISAC

Kategoria BISAC: Science >> Chemistry - Computational & Molecular Modeling

ilość książek w kategorii: 277

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 Advanced Computer Simulation Approaches for Soft Matter Sciences I S. Auer, K. Binder, J.G. Curro, D. Frenkel, G.S. Grest, D.R. Heine, P.H. Hünenberger, L.G. MacDowell, Christian Holm, Ku 9783540220589 Springer-Verlag Berlin and Heidelberg GmbH &
Advanced Computer Simulation Approaches for Soft Matter Sciences I

ISBN: 9783540220589 / Angielski / Twarda / 276 str.

ISBN: 9783540220589/Angielski/Twarda/276 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
S. Auer;K. Binder;J.G. Curro

Soft matter science is nowadays an acronym for an increasingly important class of materials, which ranges from polymers, liquid crystals, colloids up to complex macromolecular assemblies, covering sizes from the nanoscale up the microscale. Computer simulations have proven as an indispensable, if not the most powerful, tool to understand properties of these materials and link theoretical models to experiments. In this first volume of a small series recognized leaders of the field review advanced topics and provide critical insight into the state-of-the-art methods and scientific questions...

Soft matter science is nowadays an acronym for an increasingly important class of materials, which ranges from polymers, liquid crystals, colloids ...

cena: 814,55 zł

 3D Qsar in Drug Design: Volume 1: Theory Methods and Applications Kubinyi, Hugo 9789072199140 Kluwer Academic Publishers
3D Qsar in Drug Design: Volume 1: Theory Methods and Applications

ISBN: 9789072199140 / Angielski / Twarda / 759 str.

ISBN: 9789072199140/Angielski/Twarda/759 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Hugo Kubinyi; H. Kubinyi
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules.
The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the...
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Class...
cena: 2036,43 zł

 Multimedia, Vernetzung und Software für die Lehre: Das Computer-Investitions-Programm (CIP) in der Nutzanwendung Klaus Dette, Peter J. Pahl 9783540561712 Springer-Verlag Berlin and Heidelberg GmbH &
Multimedia, Vernetzung und Software für die Lehre: Das Computer-Investitions-Programm (CIP) in der Nutzanwendung

ISBN: 9783540561712 / Niemiecki / Miękka / 652 str.

ISBN: 9783540561712/Niemiecki/Miękka/652 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Klaus Dette;Peter J. Pahl
Der Tagungsband zum 5. CIP-Kongre dokumentiert den Status quo des PC-Einsatzes in vielen bedeutenden F{chern der Hochschullehre und zeigt neueTrends auf. Der st{rkste innovative Schub bei der Lehrsoftware geht zur Zeitvom Bereich Multimedia aus. Die Weiterentwicklung der Rechnerpools und der Rechnervernetzung an den Hochschulen ist dadurch bestimmt, da sich die CIP-Pools mittlerweile zu reinen Institutspools entwickeln und durch den Zuwachs an studenteneigenen PCs an Vernetzung und Softwarelizensierung sowie die Rechnerfinanzierung neue Anforderungen gestellt werden, damit der Student am...
Der Tagungsband zum 5. CIP-Kongre dokumentiert den Status quo des PC-Einsatzes in vielen bedeutenden F{chern der Hochschullehre und zeigt neueTrends a...
cena: 209,31 zł

 Advanced Computer Simulation Approaches for Soft Matter Sciences II Holm                                     Christian Holm 9783540260912 Springer
Advanced Computer Simulation Approaches for Soft Matter Sciences II

ISBN: 9783540260912 / Angielski / Twarda / 250 str.

ISBN: 9783540260912/Angielski/Twarda/250 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Holm; Christian Holm

This series presents critical reviews of the present and future trends in polymer and biopolymer science including chemistry, physical chemistry, physics and materials science. It is addressed to all scientists at universities and in industry who wish to keep abreast of advances in the topics covered.

Impact Factor Ranking: Always number one in Polymer Science. More information as well as the electronic version of the whole content available at: www.springerlink.com


This series presents critical reviews of the present and future trends in polymer and biopolymer science including chemistry, physical chemistry, p...

cena: 814,55 zł

 Supramolecular Chemistry Rurack, Knut 9780470376218 John Wiley & Sons
Supramolecular Chemistry

ISBN: 9780470376218 / Angielski / Twarda / 800 str.

ISBN: 9780470376218/Angielski/Twarda/800 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Knut Rurack; Ramon Martinez-Manez
The combination of supramolecular chemistry, inorganic solids, and nanotechnology has already led to significant advances in many areas such as sensing, controlled motion, and delivery. By making possible an unprecedented tunability of the properties of nanomaterials, these techniques open up whole new areas of application for future supramolecular concepts. The Supramolecular Chemistry of Organic-Inorganic Hybrid Materials gathers current knowledge on the subject and provides an overview of the present state and upcoming challenges in this rapidly growing, highly cross- or interdisciplinary...
The combination of supramolecular chemistry, inorganic solids, and nanotechnology has already led to significant advances in many areas such as sensin...
cena: 812,63 zł

 3D Qsar in Drug Design: Ligand-Protein Interactions and Molecular Similarity Kubinyi, Hugo 9780792347903 Kluwer Academic Publishers
3D Qsar in Drug Design: Ligand-Protein Interactions and Molecular Similarity

ISBN: 9780792347903 / Angielski / Twarda / 417 str.

ISBN: 9780792347903/Angielski/Twarda/417 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Hugo Kubinyi; Gerd Folkers; Yvonne C. Martin
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series. 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational...
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publicati...
cena: 814,55 zł

 Essential Computational Modeling in Chemistry: A Derivative of Handbook of Numerical Analysis Special Volume: Computation Chemistry, Volume 10 Ciarlet, Philippe G. 9780444537546 An Elsevier Title
Essential Computational Modeling in Chemistry: A Derivative of Handbook of Numerical Analysis Special Volume: Computation Chemistry, Volume 10

ISBN: 9780444537546 / Angielski / Miękka / 386 str.

ISBN: 9780444537546/Angielski/Miękka/386 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Philippe G. Ciarlet

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005).

Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on...

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computatio...

cena: 302,79 zł

 3D QSAR in Drug Design: Ligand-Protein Interactions and Molecular Similarity Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin 9789048149346 Springer
3D QSAR in Drug Design: Ligand-Protein Interactions and Molecular Similarity

ISBN: 9789048149346 / Angielski / Miękka / 417 str.

ISBN: 9789048149346/Angielski/Miękka/417 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Hugo Kubinyi;Gerd Folkers;Yvonne C. Martin
Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches,...
Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication...
cena: 814,55 zł

 3D QSAR in Drug Design: Recent Advances Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin 9789048149353 Springer
3D QSAR in Drug Design: Recent Advances

ISBN: 9789048149353 / Angielski / Miękka / 353 str.

ISBN: 9789048149353/Angielski/Miękka/353 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Hugo Kubinyi;Gerd Folkers;Yvonne C. Martin
Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches,...
Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication...
cena: 814,55 zł

 3D Qsar in Drug Design: Volume 1: Theory Methods and Applications Kubinyi, Hugo 9789048185276 Not Avail
3D Qsar in Drug Design: Volume 1: Theory Methods and Applications

ISBN: 9789048185276 / Angielski / Miękka / 759 str.

ISBN: 9789048185276/Angielski/Miękka/759 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Hugo Kubinyi
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules.
The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the...
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Class...
cena: 2036,43 zł

 Peptide Biosynthesis: Prohormone Convertases 1/3 and 2 Hoshino, Akina 9781615043644 Biota Publishing
Peptide Biosynthesis: Prohormone Convertases 1/3 and 2

ISBN: 9781615043644 / Angielski / Miękka / 112 str.

ISBN: 9781615043644/Angielski/Miękka/112 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Akina Hoshino; Iris Lindberg
The prohormone convertases (PC) 1/3 and 2 are calcium-activated eukaryotic subtilisins with low pH optima which accomplish the limited proteolysis of peptide hormone precursors within neurons and endocrine cells. In this lecture, we review the biochemistry, regulation, and roles of PC1/3 and 2 in disease, with an emphasis on the work published in the last 10 years. In the 20 years since their discovery, a great deal has been learned about their localization and cellular functions. Both PCs share the same four domains: the propeptides perform important roles in controlling activation and...
The prohormone convertases (PC) 1/3 and 2 are calcium-activated eukaryotic subtilisins with low pH optima which accomplish the limited proteolysis of ...
cena: 196,86 zł

 Modeling Complex Data for Creating Information Jacques-Emile DuBois Nahum Gershon 9783642802010 Springer
Modeling Complex Data for Creating Information

ISBN: 9783642802010 / Angielski / Miękka / 277 str.

ISBN: 9783642802010/Angielski/Miękka/277 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Jacques-Emile DuBois; Nahum Gershon
J.-E DUBOIS and N. GERSHON As with Volume 1 in this series, this book was inspired by the Symposium on "Communications and Computer Aided Systems" held at the 14th International CODATA Conference in September 1994 in Chambery, France. This book was conceived and influenced by the discussions at the Symposium and most of the contributions were written following the Conference. Whereas the first volume dealt with the numerous challenges facing the information revolution, especially its communication aspects, this one provides an insight into the recent tools provided by computer science for...
J.-E DUBOIS and N. GERSHON As with Volume 1 in this series, this book was inspired by the Symposium on "Communications and Computer Aided Systems" hel...
cena: 407,25 zł

 Industrial Information and Design Issues Jacques-Emile DuBois Nahum Gershon 9783642802881 Springer
Industrial Information and Design Issues

ISBN: 9783642802881 / Angielski / Miękka / 293 str.

ISBN: 9783642802881/Angielski/Miękka/293 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Jacques-Emile DuBois; Nahum Gershon
J. -E. DUBOIS and N. GERSHON The first volume of this series, "The Information Revolution: Impact on Science and Technology," emphasized the importance of data sharing and fast communication and the advantages l )f current hypertext developments in creating new and flexible data access. Volume II, "Modeling Complex Data for Creating Information," dealt, in particular, with the specific constraints of science and technology data including imprecision and uncertainty. It also provided representation and handling tools and object oriented programming technology for developing data systems. The...
J. -E. DUBOIS and N. GERSHON The first volume of this series, "The Information Revolution: Impact on Science and Technology," emphasized the importanc...
cena: 407,25 zł

 The Information Revolution: Impact on Science and Technology Jacques-Emile DuBois Nahum Gershon 9783642852503 Springer
The Information Revolution: Impact on Science and Technology

ISBN: 9783642852503 / Angielski / Miękka / 273 str.

ISBN: 9783642852503/Angielski/Miękka/273 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Jacques-Emile DuBois; Nahum Gershon
J.-E. Dubois and N. Gershon This book was inspired by the Symposium on "Communications and Computer Aided Systems" held at the 14th International CODATA Conference in September 1994 in Chambery, France. It was conceived and influenced by the discussions at the symposium and most of the contributions were written following the Conference. This is the first comprehensive book, published in one volume, of issues concerning the challenges and the vital impact of the information revolution (including the Internet and the World Wide Web) on science and technology. Topics concerning the impact of...
J.-E. Dubois and N. Gershon This book was inspired by the Symposium on "Communications and Computer Aided Systems" held at the 14th International CODA...
cena: 407,25 zł

 Recent Progress in Orbital-Free Density Functional Theory Wang, Yan Alexander 9789814436724 World Scientific Publishing Company
Recent Progress in Orbital-Free Density Functional Theory

ISBN: 9789814436724 / Angielski / Twarda / 464 str.

ISBN: 9789814436724/Angielski/Twarda/464 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Tomasz A. Wesolowski; Yan Alexander Wang
This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory. The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include...
This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by...
cena: 731,87 zł

 Theoretical and Computational Aspects of Magnetic Organic Molecules Datta, Sambhu N. 9781908977212 Imperial College Press
Theoretical and Computational Aspects of Magnetic Organic Molecules

ISBN: 9781908977212 / Angielski / Twarda / 348 str.

ISBN: 9781908977212/Angielski/Twarda/348 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Sambhu N. Datta; Carl O. Trindle
Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules,...
Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based...
cena: 524,93 zł

 Geosciences and Water Resources: Environmental Data Modeling Claude Bardinet Jean-Jacques Royer 9783642644832 Springer
Geosciences and Water Resources: Environmental Data Modeling

ISBN: 9783642644832 / Angielski / Miękka / 312 str.

ISBN: 9783642644832/Angielski/Miękka/312 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Claude Bardinet; Jean-Jacques Royer
This volume contains selected up-to-date professional papers prepared by specialists from various disciplines related to geosciences and water resources. Thirty papers discuss different aspects of environmental data modeling. It provides a forum bringing together contributions, both theoretical and applied, with special attention to Water in Ecosystems, Global Atmospheric Evolution, Space and Earth Remote Sensing, Regional Environmental Changes, Accessing Geoenvironmental Data and Ecotoxicological Issues. "Geosciences and Water Resources: Environmental Data Modeling" is now the fourth volume...
This volume contains selected up-to-date professional papers prepared by specialists from various disciplines related to geosciences and water resourc...
cena: 407,25 zł

 Annual Reports in Computational Chemistry: Volume 8 Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA) 9780444594402 Elsevier Science & Technology
Annual Reports in Computational Chemistry: Volume 8

ISBN: 9780444594402 / Angielski / Miękka / 208 str.

ISBN: 9780444594402/Angielski/Miękka/208 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Du Ralph A. Wheeler (Department of Chemistry & Biochemistry

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

  • Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in...

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to ...

cena: 903,47 zł

 Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics Lewars, Errol G. 9789048138616 0
Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics

ISBN: 9789048138616 / Angielski / Miękka / 682 str.

ISBN: 9789048138616/Angielski/Miękka/682 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Errol G Lewars
This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry.

"Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment.
The following concepts are...

This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of compu...
cena: 346,16 zł

 Methods in Computational Chemistry: Volume 2 Relativistic Effects in Atoms and Molecules Wilson, Stephen 9781461280446 Springer
Methods in Computational Chemistry: Volume 2 Relativistic Effects in Atoms and Molecules

ISBN: 9781461280446 / Angielski / Miękka / 306 str.

ISBN: 9781461280446/Angielski/Miękka/306 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Stephen Wilson
Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip tionofrelativisticeffectsinheavyatomshaslongbeenrecognizedasoneof the central problems ofatomic physics. Contemporary relativistic atomic structure calculations can be performed almost routinely. Recent years have seen agrowinginterestin thestudyoftheeffects ofrelativityon the structureofmolecules. Even for molecularsystemscontainingatoms from thesecondrowoftheperiodictable theenergyassociatedwith relativistic effects is often larger than that arising from...
Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip tionofrelativis...
cena: 203,61 zł

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