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1

Science and Technology of Polymers and Advanced Materials || Applications of Natural Fibers in Automotive Industry in Brazil — Thermoforming Process

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 972 KB

english, 1998

2

Ab initio determination of the structure of the active site of a metalloenzyme: Metal substitution in phosphotriesterase using density functional methods

Sherif A. Kafafi, Morris Krauss

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 299 KB

english, 1999

3

Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study

Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 189 KB

english, 2004

4

The ionization potential, electron affinity and energy gap of polyimide

Sherif A. Kafafi

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 241 KB

english, 1990

5

The electronic structure and conformation of dimethylaminobenzonitrile

Sherif A. Kafafi, John P. LaFemina, Gregory K. Schenter

Journal:

Structural Chemistry

Year:

1992

Language:

english

File:

PDF, 459 KB

english, 1992

6

The proton affinities of styrene, trsns-β-methylstyrene, and indene

Sherif A. Kafafi, Michael Meot-Ner (Mautner), Joel F. Liebman

Journal:

Structural Chemistry

Year:

1990

Language:

english

File:

PDF, 378 KB

english, 1990

7

Rate constants for hydrogen abstraction reactions of the sulfate radical, SO4-: experimental and theoretical results for cyclic ethers

Huie, Robert E., Clifton, Carol L., Kafafi, Sherif A.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 587 KB

english, 1991

8

Science and Technology of Polymers and Advanced Materials || Corporate Management in the Age of Global Environment Awareness — A Case Study of PET Bottle Recycling Issues in Japan

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 1.63 MB

english, 1998

9

Binding of Polychlorinated Biphenyls to the Aryl Hydrocarbon Receptor

Sherif A. Kafafi, Hussein Y. Afeefy, Ali H. Ali, Hakim K. Said and Abdel G. Kafafi

Journal:

Environmental Health Perspectives

Year:

1993

Language:

english

File:

PDF, 1.71 MB

english, 1993

10

Experimental and ab initio studies of electronic structures of the trichloromethyl radical and cation

Hudgens, Jeffrey W., Johnson, Russell D., Tsai, Bilin P., Kafafi, Sherif A.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 1.18 MB

english, 1990

11

The thermal decomposition of hydroxy- and methoxy-substituted anisoles

Suryan, Mehendra M., Kafafi, Sherif A., Stein, Stephen E.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 890 KB

english, 1989

12

Critical Role of Anisotropy for the Dimerization Energies of Two Protein−Protein Recognition Motifs: cis - N -Methylacetamide versus a β-Sheet Conformer of Alanine Dipeptide. A Joint ab Initio, Density Functional Theory, and Molecular Mechanics Investigation

Gresh, Nohad, Guo, Hong, Salahub, Dennis R., Roques, Bernard P., Kafafi, Sherif A.

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 111 KB

english, 1999

13

Effects of chemical substitution on polymer band gaps: transferability of band-edge energies

Lowe, John P., Kafafi, Sherif A.

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 595 KB

english, 1984

14

A Simple Coupling Scheme between Hartree−Fock and Local Spin-Density Functional Theories

Kafafi, Sherif A., El-Gharkawy, El-Sayed R. H.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 58 KB

english, 1998

15

Ionic charge-transfer complexes. 2. Comparative ab initio and semiempirical studies on complexes of An+ (An = aniline)

El-Shall, M. Samy., Kafafi, Sherif A., Meot-Ner, M. Michael., Kertesz, Miklos.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 762 KB

english, 1986

16

A new structure-activity model for Ah receptor binding. Polychlorinated dibenzo-p-dioxins and dibenzofurans

Kafafi, Sherif A., Afeefy, Hussein Y., Said, Hakim K., Hakimi, Janette M.

Journal:

Chemical Research in Toxicology

Year:

1992

Language:

english

File:

PDF, 1.00 MB

english, 1992

17

Electronic structure and conformation of polymers from cluster molecular orbital and molecular mechanics calculations: polyimide

Kafafi, Sherif A., LaFemina, John P., Nauss, Jeffrey L.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 606 KB

english, 1990

18

Relationship between aryl hydrocarbon receptor binding, induction of aryl hydrocarbon hydroxylase and 7-ethoxyresorufin O-deethylase enzymes, and toxic activities of aromatic xenobiotics in animals. A new model

Kafafi, Sherif A., Afeefy, Hussein Y., Said, Hakim K., Kafafi, Abdel G.

Journal:

Chemical Research in Toxicology

Year:

1993

Language:

english

File:

PDF, 937 KB

english, 1993

19

Carbon acidities of aromatic compounds. 2. Ionic probes of aromaticity in annelated rings

Meot-Ner, Michael., Liebman, Joel F., Kafafi, Sherif A.

Journal:

Journal of the American Chemical Society

Year:

1988

Language:

english

File:

PDF, 579 KB

english, 1988

20

Novel Density Functional Methodology for the Computation of Accurate Electronic and Thermodynamic Properties of Molecular Systems and Improved Long-Range Behavior

Kafafi, Sherif A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 94 KB

english, 1998

21

Carbon acidities of aromatic compounds. 1. Effects of in-ring aza and external electron-withdrawing groups

Meot-Ner, Michael., Kafafi, Sherif A.

Journal:

Journal of the American Chemical Society

Year:

1988

Language:

english

File:

PDF, 876 KB

english, 1988

22

Science and Technology of Polymers and Advanced Materials || Wavelength Sensitivity in the Photo-Degradation of Polymethyl Methacrylate:Accelerated Degradation and Gel Formation

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 561 KB

english, 1998

23

The electronic and thermodynamic aspects of Ah receptor binding. A new structure-activity model: I. The polychlorinated dibenzo- p -dioxins

Kafafi, Sherif A., Said, Hakim K., Mahmoud, Mahmoud I., Afeefy, Hussein Y.

Journal:

Year:

1992

Language:

english

File:

PDF, 646 KB

english, 1992

24

Science and Technology of Polymers and Advanced Materials || Thermoplastic Polymer Blends Containing Conductive Polyaniline

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 1.11 MB

english, 1998

25

Science and Technology of Polymers and Advanced Materials || Pervaporation of Alcohols by Using Tubular Type Cellulose Acetate and Polysulphone Membrane with Ceramic Support

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 540 KB

english, 1998

26

Science and Technology of Polymers and Advanced Materials || Liquefaction of Wood and its Applications

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 1.08 MB

english, 1998

27

Science and Technology of Polymers and Advanced Materials || Solution Properties of Conducting Polymers

Prasad, Paras N., Mark, James E., Kandil, Sherif H., Kafafi, Zakya H.

Year:

1998

Language:

english

File:

PDF, 959 KB

english, 1998

28

Affinities for the aryl hydrocarbon receptor, potencies as aryl hydrocarbon hydroxylase inducers and relative toxicities of polychlorinated biphenyls. A congener specific approach

Kafafi, Sherif A., Afeefy, Hussein Y., Ali, Ali H., Said, Hakim K., Abd-Elazem, Ibrahim S., Kafafi, Abdel G.

Journal:

Year:

1993

Language:

english

File:

PDF, 698 KB

english, 1993

29

Photophysical properties and intramolecular charge transfer in substituted polyimides

LaFemina, John P., Kafafi, Sherif A.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 382 KB

english, 1993

30

Spectroscopic and ab initio studies of difluoromethyl radicals and cations

Dearden, David V., Hudgens, Jeffrey W., Johnson, Russell D., Tsai, Bilin P., Kafafi, Sherif A.

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 1.79 MB

english, 1992

31

Computation of the Electronic and Spectroscopic Properties of Carbohydrates Using Novel Density Functional and Vibrational Self-Consistent Field Methods

Gregurick, Susan K., Kafafi, Sherif A.

Journal:

Journal of Carbohydrate Chemistry

Year:

1999

Language:

english

File:

PDF, 1.17 MB

english, 1999

32

Qualitative MO theory of some ring and ladder polymers

Lowe, John P., Kafafi, Sherif A., LaFemina, John P.

Journal:

Journal of Physical Chemistry

Year:

1986

Language:

english

File:

PDF, 5.33 MB

english, 1986

33

Ab initio calculations of the electronic structure and vibrational frequencies of the dichloromethyl radical and cation

Kafafi, Sherif A., Hudgens, Jeffrey W.

Journal:

Journal of Physical Chemistry

Year:

1989

Language:

english

File:

PDF, 813 KB

english, 1989

34

Novel Density Functional Methodology for the Computation of Accurate Electronic and Thermodynamic Properties of Molecular Systems and Improved Long-Range Behavior

Kafafi, Sherif A.

Journal:

Journal of Physical Chemistry A

Year:

1998

File:

PDF, 6 KB

1998

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