J. Andzelm: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Structural and mechanical properties of advanced polymer gels with rigid side-chains using coarse-grained molecular dynamics

Sliozberg, Yelena R., Chantawansri, Tanya L., Lenhart, Joseph L., Andzelm, Jan W.

Journal:

Year:

2014

Language:

english

File:

PDF, 2.31 MB

english, 2014

2

First Principles Modeling of Water Dissociation on Mg(0001) and Development of a Mg Surface Pourbaix Diagram

Williams, Kristen S., Labukas, Joseph P., Rodriguez-Santiago, Victor, Andzelm, Jan W.

Journal:

Year:

2015

Language:

english

File:

PDF, 7.50 MB

english, 2015

3

Nanovoid formation and mechanics: a comparison of poly(dicyclopentadiene) and epoxy networks from molecular dynamics simulations

Elder, Robert, Knorr, Daniel, Andzelm, Jan, Lenhart, Joseph L., Sirk, Timothy Wayne

Journal:

Year:

2016

Language:

english

File:

PDF, 4.14 MB

english, 2016

4

A generalized synchronous transit method for transition state location

Niranjan Govind, Max Petersen, George Fitzgerald, Dominic King-Smith, Jan Andzelm

Journal:

Computational Materials Science

Year:

2003

Language:

english

File:

PDF, 465 KB

english, 2003

5

Coarse-grained modeling of model poly(urethane urea)s: Microstructure and interface aspects

Tanya L. Chantawansri, Yelena R. Sliozberg, Jan W. Andzelm, Alex J. Hsieh

Journal:

Year:

2012

Language:

english

File:

PDF, 2.02 MB

english, 2012

6

Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides

Yeh, In-Chul, Rinderspacher, B. Christopher, Andzelm, Jan W., Cureton, LaShonda T., La Scala, John

Journal:

Year:

2014

Language:

english

File:

PDF, 1.68 MB

english, 2014

7

Use of 3-aminopropyltriethoxysilane deposited from aqueous solution for surface modification of III-V materials

Knorr Jr, Daniel B., Williams, Kristen S., Baril, Neil F., Weiland, Conan, Andzelm, Jan W., Lenhart, Joseph L., Woicik, Joseph C., Fischer, Daniel A., Tidrow, Meimei Z., Bandara, Sumith V., Henry, Nat

Journal:

Applied Surface Science

Year:

2014

Language:

english

File:

PDF, 4.59 MB

english, 2014

8

Chemical and physical passivation of type II strained-layer superlattice devices by means of thiolated self-assembled monolayers and polymer encapsulates

Henry, Nathan C., Knorr, Daniel B., Williams, Kristen S., Baril, Neil, Nallon, Eric, Lenhart, Joseph L., Andzelm, Jan W., Pellegrino, Joseph, Tidrow, Meimei, Cleveland, Erin, Bandara, Sumith

Journal:

Infrared Physics & Technology

Year:

2015

Language:

english

File:

PDF, 859 KB

english, 2015

9

The effect of grid quality and weight derivatives in density functional calculations

Baker, Jon, Andzelm, Jan, Scheiner, Andrew, Delley, Bernard

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 985 KB

english, 1994

10

Dissociation Chemistry of Gas Molecules on Carbon Nanotubes—Applications to Chemical Sensing

Govind, Niranjan, Andzelm, Jan, Maiti, Amitesh

Journal:

IEEE Sensors Journal

Year:

2008

Language:

english

File:

PDF, 596 KB

english, 2008

11

Density Functional Methods in Chemistry || Density Functional Theory for Solids, Surfaces, and Molecules: From Energy Bands to Molecular Bonds

Labanowski, Jan K., Andzelm, Jan W.

Year:

1991

Language:

english

File:

PDF, 2.71 MB

english, 1991

12

Bonding of cysteamine on InAs surfaces

Knorr, Daniel, Tran, Ngon, Williams, Kristin, Andzelm, Jan, Henry, Nathan, Gaskell, Karen, Lenhart, Joseph, Baril, Neil, Jaye, Cherno, Fischer, Daniel, Tidrow, Meimei, Bandara, Sumith

Journal:

Applied Surface Science

Year:

2018

Language:

english

File:

PDF, 6.08 MB

english, 2018

13

Effects of Finite Lengths of Chains on the Structural and Mechanical Properties of Polyethylene Fibers

Yeh, In-Chul, Balzano, Luigi, van der Werff, Harm, Mrozek, Randy A., Lenhart, Joseph L., Andzelm, Jan W.

Journal:

Year:

2019

Language:

english

File:

PDF, 5.25 MB

english, 2019

14

Interface binding and mechanical properties of MXene-epoxy nanocomposites

Sliozberg, Yelena, Andzelm, Jan, Hatter, Christine B., Anasori, Babak, Gogotsi, Yury, Hall, Asha

Journal:

Composites Science and Technology

Year:

2020

Language:

english

File:

PDF, 1.46 MB

english, 2020

15

Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn?Sham equation using several density functionals

Scheiner, Andrew C., Baker, Jon, Andzelm, Jan W.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 283 KB

english, 1997

16

A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment

Nguyen, D. T., Scheiner, A. C., Andzelm, J. W., Sirois, S., Salahub, D. R., Hagler, A. T.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 289 KB

english, 1997

17

Theoretical Study of Hydrogen Adsorption and Diffusion on TiN(100) Surface

M. Siodmiak, N. Govind, J. Andzelm, N. Tanpipat, G. Frenking, A. Korkin

Journal:

physica status solidi (b)

Year:

2001

Language:

english

File:

PDF, 159 KB

english, 2001

18

Atomistic Simulations with Carbon Nanotubes – Classical, Quantum, and Transport Modeling

A. Maiti, J. Andzelm, A. Svizhenko, M.P. Anantram, M. in het Panhuis

Journal:

physica status solidi (b)

Year:

2002

Language:

english

File:

PDF, 177 KB

english, 2002

19

ChemInform Abstract: Heterogeneous Catalysis Looking Forward with Molecular Simulation

J. W. Andzelm, A. E. Alvarado-Swaisgood, F. U. Axe, M. W. Doyle, G. Fitzgerald, C. M. Freeman, A. M. Gorman, J.-R. Hill, C. M. Kolmel, S. M. Levine, et al. et al.

Journal:

Year:

1999

File:

PDF, 25 KB

1999

20

ChemInform Abstract: Theoretical Characterization of Olefin Metathesis in the Bis-dicyclopentadienyltitanium(IV) System by Density Functional Theory.

Frank U. Axe, Jan W. Andzelm

Journal:

Year:

1999

File:

PDF, 26 KB

1999

21

ChemInform Abstract: Dynamics of cAMP-Dependent Protein Kinase

David A. Johnson, Pearl Akamine, Elzbieta Radzio-Andzelm, Madhusudan Madhusudan, Susan S. Taylor

Journal:

Year:

2001

File:

PDF, 25 KB

2001

22

Compact contracted Gaussian-type basis sets for halogen atoms. Basis-set superposition effects on molecular properties

Jan Andzelm, Mariusz Kłobukowski, Elżbieta Radzio-Andzelm

Journal:

Journal of Computational Chemistry

Year:

1984

Language:

english

File:

PDF, 1.28 MB

english, 1984

23

Compact basis sets for LCAO-LSD calculations. Part II: Tests for Cr2 and Ni4

E. Radzio, J. Andzelm, D. R. Salahub

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 475 KB

english, 1985

24

Compact basis sets for LCAO-LSD calculations. Part I: Method and bases for Sc to Zn

J. Andzelm, E. Radzio, D. R. Salahub

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 1021 KB

english, 1985

25

Reliable Gaussian basis sets for closed-shell atoms

Elżbieta Radzio, Jan Andzelm

Journal:

Journal of Computational Chemistry

Year:

1987

Language:

english

File:

PDF, 1.20 MB

english, 1987

26

Investigation of intermolecular interactions between inert-gas atoms by means of the modified statistical method

E⋖b́ieta Radzio-Andzelm

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 303 KB

english, 1981

27

Model potential for As and LCGTO MP LSD calculation of geometry, electronic structure and photoelectron spectra for As2 and As4

Jan Andzelm, Nino Russo, Dennis R. Salahub

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 498 KB

english, 1987

28

Spin contamination in density functional theory

Jon Baker, Andrew Scheiner, Jan Andzelm

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 773 KB

english, 1993

29

OH + H2 → H2O + H. The importance of ‘exact exchange’ in density functional theory

Jon Baker, Jan Andzelm, Max Muir, Peter R. Taylor

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 476 KB

english, 1995

30

Preparation of small atomic gaussian basis sets for molecular calculations

Jan Andzelm, Elżbieta Radzio-Andzelm, Mariusz Klobukowski

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 218 KB

english, 1983

31

Preliminary density functional calculations on the formic acid dimer

Henryk Chojnacki, Jan Andzelm, Dzung T. Nguyen, W.Andrzej Sokalski

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 589 KB

english, 1995

32

Applications of the adiabatic connection method to conformational equilibria and reactions involving formic acid

Jan W. Andzelm, Dzung T. Nguyen, Rolf Eggenberger, Dennis R. Salahub, Arnold T. Hagler

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 1.05 MB

english, 1995

33

Molecular orbital study of the chemisorption of hydrogen on platinum surfaces

Journal:

Surface Science Letters

Year:

1981

Language:

english

File:

PDF, 66 KB

english, 1981

34

The interaction between E. coli DHFR and substrates: a local density functional study

DzungT. Nguyen, Jürgen Bajorath, DavidH. Kitson, Zhenqin Li, George Fitzgerald, Jan Andzelm, Joseph Kraut, ArnoldT. Hagler

Journal:

Journal of Molecular Graphics

Year:

1993

Language:

english

File:

PDF, 146 KB

english, 1993

35

EHMO study of hydrogen adsorption on Pt clusters

Jan Andzelm, El•zbieta Radzio-Andzelm

Journal:

Chemical Physics

Year:

1981

Language:

english

File:

PDF, 586 KB

english, 1981

36

Model potential study of the interactions in ArHCl, ArHBr, KrHCl and XeHCl systems

Jan Andzelm, Sigeru Huzinaga, Mariusz Klobukowski, Elżbieta Radzio

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1001 KB

english, 1985

37

Non-additive interactions between noble gas atoms by the model potential method

Elz̊bieta Radzio, Jan Andzelm

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 636 KB

english, 1987

38

LCGTO MP LSD calculations for the diatomics PdX (X = C, Si, Ge, Sn)

Nino Russo, Jan Andzelm, Dennis R. Salahub

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 726 KB

english, 1987

39

Incorporation of reaction field effects into density functional calculations for molecules of arbitrary shape in solution

A.A. Rashin, M.A. Bukatin, J. Andzelm, A.T. Hagler

Journal:

Biophysical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.58 MB

english, 1994

40

PKA: a portrait of protein kinase dynamics

S.S. Taylor, J. Yang, J. Wu, N.M. Haste, E. Radzio-Andzelm, G. Anand

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2004

Language:

english

File:

PDF, 1.51 MB

english, 2004

41

Electro-optic polymeric films of phenylethynyl dyes with transparency in the blue region of the visible spectrum

Geoffrey A. Lindsay, Matthew C. Davis, Andrew P. Chafin, Stephen Fallis, Robert C. Hoffman, Timothy M. Pritchett, Jan Andzelm, Adam M. Rawlett, Dong Park, Warren N. Herman

Journal:

Optical Materials

Year:

2009

Language:

english

File:

PDF, 600 KB

english, 2009

42

DGauss - a density functional method for molecular and electronic structure calculations in the 1990s

J. Andzelm, E. Wimmer

Journal:

Physica B: Condensed Matter

Year:

1991

Language:

english

File:

PDF, 751 KB

english, 1991

43

Nanotube-based gas sensors – Role of structural defects

Jan Andzelm, Niranjan Govind, Amitesh Maiti

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 551 KB

english, 2006

44

The role of aromatic π-bridges in push–pull-chromophores on the transparency-hyperpolarizability tradeoff

B. Christopher Rinderspacher, Jan W. Andzelm, Adam M. Rawlett, Joseph M. Dougherty, MyVan Baranoski, Matthew C. Davis

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 507 KB

english, 2011

45

Protein kinase inhibition: natural and synthetic variations on a theme

Susan S Taylor, Elzbieta Radzio-Andzelm

Journal:

Current Opinion in Chemical Biology

Year:

1997

Language:

english

File:

PDF, 1.85 MB

english, 1997

46

Modeling viscoelastic properties of triblock copolymers: A DPD simulation study

Yelena R. Sliozberg, Jan W. Andzelm, John K. Brennan, Mark R. Vanlandingham, Victor Pryamitsyn, Venkat Ganesan

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2010

Language:

english

File:

PDF, 539 KB

english, 2010

47

Phase behavior of SEBS triblock copolymer gels

Tanya L. Chantawansri, Andrew J. Duncan, Jan Ilavsky, Kristoffer K. Stokes, Michael C. Berg, Randy A. Mrozek, Joseph L. Lenhart, Frederick L. Beyer, Jan W. Andzelm

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2011

Language:

english

File:

PDF, 2.10 MB

english, 2011

48

Electron redistribution on binding of a substrate to an enzyme: Folate and dihydrofolate reductase

Jürgen Bajorath, David H. Kitson, George Fitzgerald, Jan Andzelm, Joseph Kraut, Dr. Arnold T. Hagler

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1991

Language:

english

File:

PDF, 893 KB

english, 1991

49

DFT study of methanol conversion to hydrocarbons in a zeolite catalyst

Jan Andzelm, Niranjan Govind, George Fitzgerald, Amitesh Maiti

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 254 KB

english, 2003

50

Approximate exchange and electrostatic interaction energies of deformed ions

Maciej Gutowski, Małgorzata Kąkol, Jan Andzelm, Lucjan Piela

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 535 KB

english, 1981

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски