Leszczyński, Jerzy: search on Z-Library

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1

Mineral–organic interfacial processes: potential roles in the origins of life

James Cleaves II, H., Michalkova Scott, Andrea, Hill, Frances C., Leszczynski, Jerzy, Sahai, Nita, Hazen, Robert

Journal:

Chemical Society Reviews

Year:

2012

Language:

english

File:

PDF, 2.81 MB

english, 2012

2

Handbook of Computational Chemistry || Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 936 KB

english, 2017

3

Sarin and Soman: Structure and Properties

Anna Kaczmarek, Leonid Gorb, Andrzej J. Sadlej, Jerzy Leszczynski

Journal:

Structural Chemistry

Year:

2004

Language:

english

File:

PDF, 188 KB

english, 2004

4

Handbook of Computational Chemistry Volume 70 || Predictive QSAR Modeling: Methods and Applications in Drug Discovery andChemical Risk Assessment

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 840 KB

english, 2012

5

Open access in silico tools to predict the ADMET profiling of drug candidates

Kar, Supratik, Leszczynski, Jerzy

Journal:

Expert Opinion on Drug Discovery

Year:

2020

File:

PDF, 5.28 MB

2020

6

Interactions of Electrons with Bare and Hydrated Biomolecules: From Nucleic Acid Bases to DNA Segments

Gu, Jiande, Leszczynski, Jerzy, Schaefer, Henry F.

Journal:

Chemical Reviews

Year:

2012

Language:

english

File:

PDF, 20.22 MB

english, 2012

7

Use of quantitative structure–enantioselective retention relationship for the liquid chromatography chiral separation prediction of the series of pyrrolidin-2-one compounds

Bakhtiyor Rasulev, Malakhat Turabekova, Magdalena Gorska, Katarzyna Kulig, Anna Bielejewska, Janusz Lipkowski, Jerzy Leszczynski

Journal:

Year:

2012

Language:

english

File:

PDF, 183 KB

english, 2012

8

The Evolution of Bonding and Thermodynamic Properties of Boron-Doped Small Carbon Clusters: An Ab Initio Study

Dr. Julia Saloni, Paweł Kadłubański, Prof. Szczepan Roszak, Prof. D. Majumdar, Prof. Glake Hill Jr., Prof. Jerzy Leszczynski

Journal:

Year:

2011

Language:

english

File:

PDF, 381 KB

english, 2011

9

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

Puzyn, Tomasz, Rasulev, Bakhtiyor, Gajewicz, Agnieszka, Hu, Xiaoke, Dasari, Thabitha P., Michalkova, Andrea, Hwang, Huey-Min, Toropov, Andrey, Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Nature Nanotechnology

Year:

2011

Language:

english

File:

PDF, 305 KB

english, 2011

10

[Computational Chemistry: Reviews of Current Trends] Computational Chemistry: Reviews of Current Trends Volume 2 || Practical Exercises in Ab Initio Quantum Chemistry — the World Wide Web as a Teaching Environment

Leszczynski, Jerzy

Year:

1997

Language:

english

File:

PDF, 4.15 MB

english, 1997

11

Handbook of Computational Chemistry || Structures and Stability of Fullerenes, Metallofullerenes, and Their Derivatives

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

12

Handbook of Computational Chemistry || Molecular Mechanics: Principles, History, and Current Status

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 494 KB

english, 2017

13

Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition

CP, Anju, Subhramanian, Sunitha, Sizochenko, Natalia, Melge, Anu R, Leszczynski, Jerzy, Mohan, C.Gopi

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2018

Language:

english

File:

PDF, 3.75 MB

english, 2018

14

Chemical activation of biochar for energy and environmental applications: a comprehensive review

Sajjadi, Baharak, Zubatiuk, Tetiana, Leszczynska, Danuta, Leszczynski, Jerzy, Chen, Wei Yin

Journal:

Reviews in Chemical Engineering

Year:

2018

Language:

english

File:

PDF, 1.99 MB

english, 2018

15

Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases

Jiří Šponer, Jerzy Leszczynski, Pavel Hobza

Journal:

Year:

2001

Language:

english

File:

PDF, 628 KB

english, 2001

16

Findings on the Electron-Attachment-Induced Abasic Site in a DNA Double Helix

Jiande Gu, Jing Wang, Janusz Rak, Jerzy Leszczynski

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 245 KB

english, 2007

17

Covalent Chemistry and Conformational Dynamics of Topologically Chiral Amide-Based Molecular Knots

Oleg Lukin, Walter M. Müller, Ute Müller, Astrid Kaufmann, Claus Schmidt, Jerzy Leszczynski, Fritz Vögtle

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 328 KB

english, 2003

18

Comprehensive Analysis of DNA Strand Breaks at the Guanosine Site Induced by Low-Energy Electron Attachment

Jiande Gu, Jing Wang, Jerzy Leszczynski

Journal:

Year:

2010

Language:

english

File:

PDF, 483 KB

english, 2010

19

SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 204 KB

english, 2010

20

Probing the role of PO stretching mode enhancement in nerve-agent sensors: Simulation of the adsorption of diisopropylfluorophosphate on the model MgO and CaO surfaces

Wojciech Kolodziejczyk, D. Majumdar, Szczepan Roszak, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 456 KB

english, 2007

21

Out-of-plane deformability of aromatic systems in naphthalene, anthracene and phenanthrene

Marina V. Zhigalko, Oleg V. Shishkin, Leonid Gorb, Jerzy Leszczynski

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 129 KB

english, 2004

22

A Quantitative Structure-Activity Relationship (QSAR) Study of the Antioxidant Activity of Flavonoids

Bakhtiyor F. Rasulev, Nasrulla D. Abdullaev, Vladimir N. Syrov, Jerzy Leszczynski

Journal:

Molecular Informatics

Year:

2005

Language:

english

File:

PDF, 286 KB

english, 2005

23

Structure-toxicity relationships of nitroaromatic compounds

Olexandr Isayev, Bakhtiyor Rasulev, Leonid Gorb, Jerzy Leszczynski

Journal:

Molecular Diversity

Year:

2006

Language:

english

File:

PDF, 252 KB

english, 2006

24

CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Molecular Diversity

Year:

2011

Language:

english

File:

PDF, 405 KB

english, 2011

25

Bionanoscience: Nano meets bio at the interface

Leszczynski, Jerzy

Journal:

Nature Nanotechnology

Year:

2010

Language:

english

File:

PDF, 156 KB

english, 2010

26

Singlet Nitric Oxide Dimer Revisited: An Unexpected High Stability Isomer

David H. Magers, Huang Qiong, Jerzy Leszczyński

Journal:

Structural Chemistry

Year:

2002

Language:

english

File:

PDF, 52 KB

english, 2002

27

Handbook of Computational Chemistry Volume 35 || Introduction to Response Theory

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 309 KB

english, 2012

28

Handbook of Computational Chemistry Volume 1053 || Chemical Reactions: Thermochemical Calculations

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 240 KB

english, 2012

29

Handbook of Computational Chemistry Volume 1056 || Structures and Stability of Fullerenes,Metallofullerenes, and Their Derivatives

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 2.13 MB

english, 2012

30

Handbook of Computational Chemistry Volume 1054 || Auxiliary Density Functional Theory: From Molecules to Nanostructures

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 972 KB

english, 2012

31

Handbook of Computational Chemistry Volume 1058 || Structures, Energetics, and Spectroscopic Fingerprints of Water Clustersn = 2–24

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 1.99 MB

english, 2012

32

Handbook of Computational Chemistry Volume 1058 || Fundamental Structural, Electronic, and Chemical Properties of CarbonNanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 4.73 MB

english, 2012

33

Handbook of Computational Chemistry Volume 5166 || Quantitative Structure–Activity Relationships of Antimicrobial Compounds

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 231 KB

english, 2012

34

Theoretical studies on the structure and electronic properties of cubic gold nanoclusters

D. Majumdar, Szczepan Roszak, Jerzy Leszczynski

Journal:

The Canadian Journal of Chemical Engineering

Year:

2012

Language:

english

File:

PDF, 696 KB

english, 2012

35

A TD-DFT study of the optical properties of (2,7-fluorene)-heterocyclic derivatives

Anu Adegoke, Jing Wang, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 745 KB

english, 2012

36

One-electron standard reduction potentials of nitroaromatic and cyclic nitramine explosives

Minori Uchimiya, Leonid Gorb, Olexandr Isayev, Mohammad M. Qasim, Jerzy Leszczynski

Journal:

Environmental Pollution

Year:

2010

Language:

english

File:

PDF, 232 KB

english, 2010

37

Ab Initio Molecular Dynamics Study on the Initial Chemical Events in Nitramines: Thermal Decomposition of CL-20

Isayev, Olexandr, Gorb, Leonid, Qasim, Mo, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 2.42 MB

english, 2008

38

[RSC Nanoscience & Nanotechnology] Towards Efficient Designing of Safe Nanomaterials || Chapter 6. Nanoinformatics for Safe-by-Design Engineered Nanomaterials

Leszczynski, Jerzy

Year:

2012

Language:

english

File:

PDF, 1.05 MB

english, 2012

39

Recent Advances in QSAR Studies || Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

40

Practical Aspects of Computational Chemistry I || Relativistic Quantum Monte Carlo Method

Leszczynski, Jerzy, Shukla, Manoj K.

Year:

2012

Language:

english

File:

PDF, 335 KB

english, 2012

41

Practical Aspects of Computational Chemistry || Multiscale Modeling: A Review

Leszczynski, Jerzy, Shukla, Manoj K.

Year:

2010

Language:

english

File:

PDF, 980 KB

english, 2010

42

In search of active RGD peptides: Theoretical study of hydrogen bonding in five-member ring cyclic-RGD isomers

Isioma Enwerem, Jing Wang, Jerzy Leszczynski

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 986 KB

english, 2012

43

Validation of a novel secretion modification region (SMR) of HIV-1 Nef using cohort sequence analysis and molecular modeling

Patrick E. Campbell, Olexandr Isayev, Syed A. Ali, William W. Roth, Ming-Bo Huang, Michael D. Powell, Jerzy Leszczynski, Vincent C. Bond

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 635 KB

english, 2012

44

Lattice Resistance to Hydrolysis of Si−O−Si Bonds of Silicate Minerals: Ab Initio Calculations of a Single Water Attack onto the (001) and (111) β-Cristobalite Surfaces

Pelmenschikov, Alexander, Strandh, Helene, Pettersson, Lars G. M., Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000

45

Tautomerism in nucleic acid bases and base pairs: a brief overview

Shukla, Manoj K., Leszczynski, Jerzy

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2013

Language:

english

File:

PDF, 258 KB

english, 2013

46

Spontaneous DNA Mutations Induced by Proton Transfer in the Guanine·Cytosine Base Pairs: An Energetic Perspective

Florián, Jan, Leszczyński, Jerzy

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 186 KB

english, 1996

47

Density Functional Theory Investigation of Electronic Structures and Properties of Ag n –C 60 –Ag n Nanocontacts

Shukla, Manoj K., Dubey, Madan, Zakar, Eugene, Leszczynski, Jerzy

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.21 MB

english, 2012

48

DFT-based reactivity study of (5,5) armchair boron nitride nanotube (BNNT)

Saha, Soumen, Dinadayalane, Tandabany C., Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 624 KB

english, 2013

49

High disease activity in ankylosing spondylitis is associated with increased serum sclerostin level and decreased wingless protein-3a signaling but is not linked with greater structural damage

Mariusz Korkosz, Jerzy Gąsowski, Piotr Leszczyński…

Journal:

BMC Musculoskeletal Disorders

Year:

2013

Language:

english

File:

PDF, 152 KB

english, 2013

50

Detection of tautomer proportions of dimedone in solution: a new approach based on theoretical and FT-IR viewpoint

Karabulut, Sedat, Namli, Hilmi, Leszczynski, Jerzy

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 602 KB

english, 2013