I.F. Fishtik : rechercher sur Z-Library

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1

The steady-state kinetics of parallel reaction networks

Saurabh A. Vilekar, Ilie Fishtik, Ravindra Datta

Journal:

Chemical Engineering Science

Année:

2010

Langue:

english

Fichier:

PDF, 654 KB

english, 2010

2

Integrating process safety with molecular modeling-based risk assessment of chemicals within the REACH regulatory framework: Benefits and future challenges

Amanda Lewis, Nikolaos Kazantzis, Ilie Fishtik, Jennifer Wilcox

Journal:

Journal of Hazardous Materials

Année:

2007

Langue:

english

Fichier:

PDF, 224 KB

english, 2007

3

A thermodynamic analysis of hydrogen production by steam reforming of ethanol via response reactions

I. Fishtik, A. Alexander, R. Datta, D. Geana

Journal:

International Journal of Hydrogen Energy

Année:

2000

Langue:

english

Fichier:

PDF, 248 KB

english, 2000

4

Reaction Route Graphs. I. Theory and Algorithm

Fishtik, Ilie, Callaghan, Caitlin A., Datta, Ravindra

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 558 KB

english, 2004

5

A Stoichiometric Approach to Quantitative Structure—Property Relationships (QSPR).

Ilie Fishtik, Ravindra Datta

Journal:

Année:

2003

Fichier:

PDF, 49 KB

2003

6

Topological analysis of catalytic reaction networks: Water gas shift reaction on Cu(1 1 1)

Caitlin A. Callaghan, Saurabh A. Vilekar, Ilie Fishtik, Ravindra Datta

Journal:

Applied Catalysis A: General

Année:

2008

Langue:

english

Fichier:

PDF, 2.14 MB

english, 2008

7

A reaction route network for hydrogen combustion

Ilie Fishtik, Ravindra Datta

Journal:

Physica A: Statistical Mechanics and its Applications

Année:

2007

Langue:

english

Fichier:

PDF, 504 KB

english, 2007

8

New network architecture for stoichiometrically, thermodynamically and kinetically balanced metabolic reaction systems

Ilie Fishtik, Ravindra Datta

Journal:

Physica A: Statistical Mechanics and its Applications

Année:

2007

Langue:

english

Fichier:

PDF, 233 KB

english, 2007

9

The steady-state kinetics of a catalytic reaction sequence

Saurabh A. Vilekar, Ilie Fishtik, Ravindra Datta

Journal:

Chemical Engineering Science

Année:

2009

Langue:

english

Fichier:

PDF, 332 KB

english, 2009

10

Systematic generation of thermochemical cycles for water splitting

Ilie Fishtik, Ravindra Datta

Journal:

Computers & Chemical Engineering

Année:

2008

Langue:

english

Fichier:

PDF, 894 KB

english, 2008

11

The effect of stoichiometry on ab initio-based thermochemistry predictions

Ilie Fishtik, David Urban, Jennifer Wilcox

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 117 KB

english, 2006

12

A reaction route graph analysis of the electrochemical hydrogen oxidation and evolution reactions

I. Fishtik, C.A. Callaghan, J.D. Fehribach, R. Datta

Journal:

Journal of Electroanalytical Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 334 KB

english, 2005

13

Toward cell circuitry: Topological analysis of enzyme reaction networks via reaction route graphs

Ravindra Datta, Saurabh A. Vilekar, Ilie Fishtik, James P. Dittami

Journal:

Physica A: Statistical Mechanics and its Applications

Année:

2008

Langue:

english

Fichier:

PDF, 3.09 MB

english, 2008

14

Rebuttal to the comments by Fan et al. on “An improved microkinetic model for the water–gas shift reaction on copper [Surf. Sci. 541 (2003) 21–30]”

Ilie Fishtik, Ravindra Datta

Journal:

Surface Science

Année:

2007

Langue:

english

Fichier:

PDF, 344 KB

english, 2007

15

Benzene triradicals: stabilization or destabilization?

Journal:

Tetrahedron Letters

Année:

2009

Langue:

english

Fichier:

PDF, 347 KB

english, 2009

16

A thermodynamic approach to the systematic elucidation of unique reaction routes in catalytic reactions

Ilie Fishtik, Ravindra Datta

Journal:

Chemical Engineering Science

Année:

2000

Langue:

english

Fichier:

PDF, 165 KB

english, 2000

17

Effect of specific adsorption of ions on the kinetics of electrode processes

V.S. Krylov, V.A. Kiryanov, I.F. Fishtik

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Année:

1980

Langue:

english

Fichier:

PDF, 1.02 MB

english, 1980

18

A UBI–QEP microkinetic model for the water–gas shift reaction on Cu(1 1 1)

Ilie Fishtik, Ravindra Datta

Journal:

Surface Science

Année:

2002

Langue:

english

Fichier:

PDF, 399 KB

english, 2002

19

An improved microkinetic model for the water gas shift reaction on copper

Caitlin Callaghan, Ilie Fishtik, Ravindra Datta, Michael Carpenter, Matthew Chmielewski, Anibal Lugo

Journal:

Surface Science

Année:

2003

Langue:

english

Fichier:

PDF, 234 KB

english, 2003

20

Biphenylene: stabilization or destabilization?

Journal:

Journal of Physical Organic Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 184 KB

english, 2011

21

Joule-Thomson coefficient in systems with multiple chemical equilibria

Ilie Fishtik, Dan Geanâ, Ivan Gutman, István Nagypál

Journal:

Journal of Mathematical Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 1000 KB

english, 1996

22

General therodynamic identities for sensitivity coefficients

I. Gutman, I. Nagypál, I. Fishtik

Journal:

Journal of Mathematical Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 533 KB

english, 1995

23

An identity in chemical thermodynamics

I. Gutman, I. Fishtik, N. Nagypál

Journal:

Journal of Mathematical Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 887 KB

english, 1994

24

Prediction of Comparative Catalytic Activity in the Series of Single Crystalline Surfaces in a Water-Gas Shift Reaction

A. V. Zeigarnik, C. Callaghan, R. Datta, I. Fishtik, E. Shustorovich

Journal:

Kinetics and Catalysis

Année:

2005

Langue:

english

Fichier:

PDF, 84 KB

english, 2005

25

The mechanism of ion-pair formation in the inner part of the double layer

I.F. Fishtik, I.I. Vataman, F.A. Spatar

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Année:

1984

Langue:

english

Fichier:

PDF, 335 KB

english, 1984

26

Group Additivity Methods in Terms of Response Reactions†

Fishtik, Ilie, Datta, Ravindra, Liebman, Joel F.

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 90 KB

english, 2003

27

Sensitivity analysis of complex chemical equilibria in heterogeneous systems

Ilie Fishtik, Dan Geană

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Année:

1997

Langue:

english

Fichier:

PDF, 597 KB

english, 1997

28

The peculiar catalytic sequence of the ammonia decomposition reaction and its steady-state kinetics

Saurabh A. Vilekar, Ilie Fishtik, Ravindra Datta

Journal:

Chemical Engineering Science

Année:

2012

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2012

29

Topological analysis of catalytic reaction networks: Methanol decomposition on Pt(111)

Saurabh A. Vilekar, Ilie Fishtik, Ravindra Datta

Journal:

Journal of Catalysis

Année:

2007

Langue:

english

Fichier:

PDF, 1.34 MB

english, 2007

30

Comments on “Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme”

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 133 KB

english, 2012

31

Enumeration and discrimination of mechanisms in heterogeneous catalysis based on response reactions and unity bond index–quadratic exponential potential (UBI–QEP) method

I. Fishtik, A. Alexander, R. Datta

Journal:

Surface Science

Année:

1999

Langue:

english

Fichier:

PDF, 198 KB

english, 1999

32

A General Thermodynamic and Stoichiometric Theory of Stability of Chemical Species

Fishtik, Ilie, Datta, Ravindra

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 121 KB

english, 2004

33

Accurate evaluation of the resonance energies of benzene and pyridine via cyclic reference state

Fishtik, Ilie, Grimme, Stefan

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 1.54 MB

english, 2012

34

Comment on “Assessment and Validation of Density Functional Approximations for Iron Carbide and Iron Carbide Cation”

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 530 KB

english, 2013

35

Procedure for Decomposing a Redox Reaction into Half-Reactions

Fishtik, Ilie, Berka, Ladislav H.

Journal:

Journal of Chemical Education

Année:

2005

Langue:

english

Fichier:

PDF, 120 KB

english, 2005

36

Reaction Route Graphs. II. Examples of Enzyme- and Surface-Catalyzed Single Overall Reactions

Fishtik, Ilie, Callaghan, Caitlin A., Datta, Ravindra

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 333 KB

english, 2004

37

Unique Stoichiometric Representation for Computational Thermochemistry

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 598 KB

english, 2012

38

Comment on “The Concept of Protobranching and Its Many Paradigm Shifting Implications for Energy Evaluations”

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 200 KB

english, 2010

39

A graph theoretical approach to the elucidation of reaction mechanisms: Analysis of the chlorine electrode reaction

Vijay, P., Tadé, M.O., Fishtik, Ilie, Datta, R.

Journal:

Computers & Chemical Engineering

Année:

2013

Langue:

english

Fichier:

PDF, 615 KB

english, 2013

40

An Exact Stoichiometric Representation of the Resonance Energy

Journal:

Journal of Physical Chemistry A

Année:

2011

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2011

41

Group Additivity vs Ab Initio

Fishtik, Ilie, Datta, Ravindra

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 148 KB

english, 2003

42

A Stoichiometric Approach to Quantitative Structure-Property Relationships (QSPR)

Fishtik, I., Datta, R.

Journal:

Journal of Chemical Information and Modeling

Année:

2003

Langue:

english

Fichier:

PDF, 85 KB

english, 2003

43

Thermodynamic Stability Relations in Redox Systems

Journal:

Environmental Science & Technology

Année:

2006

Langue:

english

Fichier:

PDF, 238 KB

english, 2006

44

Reaction Route Graphs. III. Non-Minimal Kinetic Mechanisms

Fishtik, Ilie, Callaghan, Caitlin A., Datta, Ravindra

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 200 KB

english, 2005

45

Reply to “Comment on ‘Hess-Schaad Group Additivity Type Model Predicts Superaromaticity’”

Journal:

Journal of Physical Chemistry A

Année:

2011

Langue:

english

Fichier:

PDF, 686 KB

english, 2011

46

De Donder Relations in Mechanistic and Kinetic Analysis of Heterogeneous Catalytic Reactions

Fishtik, Ilie, Datta, Ravindra

Journal:

Industrial & Engineering Chemistry Research

Année:

2001

Langue:

english

Fichier:

PDF, 180 KB

english, 2001

47

Group Additivity Methods without Group Values

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 46 KB

english, 2006

48

Response Reactions: A Mathematical Well-Defined Way to Obtain Accurate Thermochemistry from ab Initio Calculations

Fishtik, Ilie, Datta, Ravindra, Liebman, Joel F.

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 101 KB

english, 2003

49

Hess−Schaad Group Additivity Type Model Predicts Superaromaticity

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 582 KB

english, 2010

50

Phase Stability Relations in Invariant Systems

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 165 KB

english, 2005