Research & Curricular Interests

Experimental Physical Chemistry - low temperature spectroscopy; Molecular Modeling and Computational Chemistry - applications to problems in chemistry, biology and materials science; and Computer-Assisted Instruction.

Experimental Physical Chemistry: Transient species, as well as reactive and neutral entities are often difficult to characterize. Matrix isolation provides a convenient method for limiting the mobility of these species long enough for them to be studied by any desired spectroscopic technique. Our interest in this area is in the combined use of matrix isolation infrared, time - resolved vibrational spectroscopy and nuclear magnetic resonance toJuly 3, 2008ient species and in the process provide information on bonding, structure, and possible conformations. 

• Current Project (manuscript in preparation) : Vibrational analysis and ab initio studies of propiolic acid.

Computational Chemistry / Molecular Modeling Applications: Our interests in this area are on the application of these techniques for the study of a variety of problems in chemistry and biology. We are applying these techniques to problems in a number of areas: the molecular and electronic structures and properties of various materials; theoretical investigations of organic reaction mechanisms and dynamics; structure activity relationships in natural products and other compounds with significant medicinal and biological activities.   We are using ab initio, semi-empirical and molecular mechanics programs as well as Monte Carlo simulations for computation and visualization.  Representative projects:

Computational Materials Science (Materials Science / Nanotechnology)

• Hydrogen bonding plays an important role in molecular self-assembly. We are investigating the quantitative role of the hydrogen bond in the aggregation process as well as developing structure - property relationships for multifunctional and multichromophoric materials.
• Molecular, electronic and nonlinear optical properties of furan, pyrrole, and thiophene-based organic semiconductors
• Calculations of nonlinear optical properties of supramolecular donor-acceptor systems (Collaboration with Professor JaeTae Seo of the Physics Department).  These types of materials have significant technological applications – electro-optic devices, telecommunications, quantum computing, etc.

QSAR:

• Design, synthesis, and theoretical studies of novel quaternary ammonium salts.
• Anti-HIV and HEPT derivatives

Organic reaction mechanisms:

• Thermal and photochemical decomposition channels for a number of simple acids (e.g. propynoic acid).

Computer Assisted Instruction

• Computational science is used to demystify abstract chemistry concepts.  Our efforts have been enhanced with a grant from the NSF CCLI Program with the establishment of the Computational Chemistry Laboratory.

Selected Publications

• “Theoretical Studies (Quantum Mechanical) of Furan-, Pyrrole-, and Thiophene-Based Organic Semiconductors” Courtney E. Dula, Gilda K. Sibedwo, Dawn E. Scott, and Edmund Moses N. Ndip, (manuscript in preparation for IJQC)
• Edmund Moses N. Ndip, Manoj K. Shukla, Jerzy Leszczynski, Richard L. Redington “Theoretical Studies of the Ground-State Unimolecular Decomposition Channels of Propynoic Acid”, Int. J. Quant. Chem., 100 (5), 779 – 787, (2004)
• Jerry Perlstein, Kevin Steppe+, Shai Vaday, and Edmund Moses N. Ndip, “Molecular Self – Assemblies. 5. Analysis of the Vector Properties of Hydrogen Bonding in Crystal Engineering”, J. Am. Chem. Soc., 118, 8433 – 8443, (1996).
• "Chemistry of Waste Management - Manual", Edmund M. N. Ndip, Lamar University, Department of Occupational Health and Safety, Beaumont, Texas, July 1990.
• “Vibrational Analysis and Ab Initio Studies of Propiolic Acid.”  Edmund Moses N. Ndip, Ph.D. Dissertation, Texas Tech University, August 1987
• "The Photochemical Transformation of Oxime Carbamates - Methomyl" P. K. Freeman, Edmund M. N. Ndip, J. Agric Food Chem., 1984, 32, 877 - 880.
• “The Photochemical Transformation of Oxime Carbamates – Methomyl.”  Edmund Moses N. Ndip, M.S. Thesis, Oregon State University, December 1981

Contributed Papers / Abstracts

• “Incorporating Computational Chemistry / Science into the Undergraduate Chemistry Curriculum” Edmund Moses N. Ndip, Charles M. Bump, Godson C. Nwokogu, and Shanthi Paranawithana, IEEE & ACM Supercomputing Conference (SC07) Education Program, Reno, NV (Nov. 10, 2007)
• “A Comparative Study: Semi Empirical versus Density Functional Theory (DFT) Studies of Some Organic Semiconductors” Edmund Moses N. Ndip, Courtney E. Dula, Gilda K. Sibedwo, Dawn E. Scott, 7th  Southern School on Computational Chemistry and Materials Science 2007, Jackson, MS (April 6, 2007)
• “Computational Analysis of Pyrrole Based Compounds and their Use as Organic Semiconductors ” Dawn  E. Scott, Dr. Edmund Ndip, 12th Annual School of Science Student Research Symposium, Hampton University, Hampton, VA, February 2007 .
• “Theoretical Studies (Quantum Mechanical) of Furan-, Pyrrole-, and Thiophene-Based Organic Semiconductors” Courtney E. Dula, Gilda K. Sibedwo, Dawn E. Scott, and Edmund Moses N. Ndip, Proceedings 15th Conference on Current Trends in Computational Chemistry 2006, pg. 46 – 48, Jackson, MS
• “Introduction of Nanotechnology to Undergraduate Engineering and Science Curricula – A Multidisciplinary and Modular Approach” Jale Akyurtlu, Ates Akyurtlu, JaeTae Seo, Edmund Moses Ndip, Proceedings of the ASEE 2006 Annual Conference, Chicago, IL, June 16, 2006.
• “A Multidisciplinary and Modular Approach for the Introduction of  Nanotechnology to Undergraduate Engineering and Science Curricula,”  Jale Akyurtlu, Ates Akyurtlu, JaeTae Seo, Edmund Ndip, Proceedings of the 2006 International Conference on Engineering Education, San Juan, Puerto Rico, July 23 – 26, 2006
• “Theoretical Studies of AZT and AZT  Analogues” Edmund Moses N. Ndip, 14th Conference on Current Trends in Computational Chemistry 2005, Jackson, MS., pg. 116
• “A Theoretical Study of the Ground State Unimolecular Decomposition Channels of Propynoic Acid”, Edmund Moses N. Ndip, Shukla Manoj and Jerzy Leszczynski, 12th Conference on Current Trends in Computational Chemistry 2003, Jackson, MS., pg. 124-125
• “Theoretical Studies (Ab initio and Semi-empirical) of a Class of Anti-HIV Compounds – HEPT Derivatives” Ji Lim and Edmund Moses N. Ndip, in Proceedings: Virginia Journal of Science, Summer 2003, Vol. 54, No. 2, pg. 79
• “Theoretical Studies of Precursor Amines of Novel Antimicrobial Quaternary Ammonium Salts” Juan Jimenez, Annick Charlotte, Sabrina M. Aponte, and Edmund Moses N. Ndip, in Proceedings: Virginia Journal of Science, Summer 2002, Vol.53, No.2, pg. 86
• “Design and Synthesis of Second Generation Benzalkonium Antimicrobial Amphiphiles” April Foust+, Edmund Moses N. Ndip, Richard D. Gandour, Hampton University Fourth Annual Research Symposium, Hampton, Virginia, (February 1999)
• “The Synthesis of Bisazobenzenes” Knachelle R. Hodge+, Edmund Moses N. Ndip, David G. Whitten, Third Annual Research Symposium, Hampton, Virginia, (February 1998)

Selected Presentations

• “Incorporating Computational Chemistry / Science into the Undergraduate Chemistry Curriculum” Edmund Moses N. Ndip, Charles M. Bump, Godson C. Nwokogu, and Shanthi Paranawithana, IEEE & ACM Supercomputing Conference (SC07) Education Program, Reno, NV (Nov. 10, 2007)
• “A Comparative Study: Semi Empirical versus Density Functional Theory (DFT) Studies of Some Organic Semiconductors” Edmund Moses N. Ndip, Coutney E. Dula, Gilda K. Sibedwo, Dawn E. Scott, 7th  Southern School on Computational Chemistry and materials Science 2007, Jackson, MS (April 6, 2007)
• “Computational Analysis of Pyrrole Based Compounds and their Use as Organic Semiconductors ” Dawn  E. Scott, Dr. Edmund Ndip, 12th Annual School of Science Student Research Symposium, Hampton University, Hampton, VA, February 2007 .
• “Modeling the Environment” NSF CWCS Workshop - Environmental Chemistry, Hampton University, Hampton, VA (May 2006)
• "Theoretical Studies of AZT and AZT Analogues", Edmund Moses Ndip, 5th Southern School on Computational Chemistry, Jackson, MS, (April 2005).
• “Modeling the Correspondence Principle” Shodor Education Foundation National Computational Science Institute Workshop, Norfolk State University, Norfolk, VA (May 2004)
• “Theoretical Studies of the Unimolecular Decomposition Channels of Propiolic Acid” Edmund Moses N. Ndip, Jackson State University NSF CREST CCMSI Summer Institute, Orange Beach, Alabama, (July 2003)
• “Computational Science – Innovations in Teaching and Doing Chemistry” Edmund Moses N. Ndip, Shaw University, Raleigh, NC, (July 2003). (invited seminar)
• “Teaching Chemical Kinetics with Models” Shodor Education Foundation National Computational Science Institute Workshop, Norfolk State University, Norfolk, VA (May 2003)
• "Theoretical Studies of a Class of Anti-HIV Compounds, HEPT Derivatives", Edmund Moses Ndip, Ji Lim, 81st Annual Meeting of the Virginia Academy of Science, University of Virginia, Charlottesville, Virginia, (May 2003).
• "Theoretical Studies of Precursor Amines of Novel Antimicrobial Quaternary Ammonium Salts", J.C. Jimenez, A. Charlotte, S.M. Aponte, Edmund Moses Ndip, Proceedings of the 80th Annual Meeting of the Virginia Academy of Science, Hampton University, Hampton, Virginia. (May 2002).
• “Overview of Computational Science” Edmund Moses N. Ndip, Seventh Annual School of Science Student Research Symposium, Hampton University, Hampton, VA, (February 2002)
• "Impact of New Multimedia Technologies on the Theory and Practice of Instruction", Hampton University Technology Conference 2000: Closing the Digital Divide. Hampton University Convocation Center, Hampton, Virginia (November 2000).
•  “Design and Synthesis of Second Generation Benzalkonium Antimicrobial Amphiphiles” April Foust+, Edmund Moses N. Ndip, Richard D. Gandour, Hampton University Fourth Annual Research Symposium, Hampton, Virginia, (February 1999)
• “The Synthesis of Bisazobenzenes” Knachelle R. Hodge, Edmund Moses N. Ndip, David G. Whitten, Third Annual Research Symposium, Hampton, Virginia, (February 1998)
• Edmund Moses N. Ndip, “Molecular Self – Assemblies: The Role of Hydrogen Bonding in the Crystal Forming Process”, 1996 International Annual Symposium of the Center for Photo induced Charge Transfer, University of Rochester, Rochester, NY, (July 1996)
• "Vibrational Analysis of Propiolic Acid," Edmund Ndip and R. L. Redington, American Chemical Society Second Annual South Plains Section Chemical Research Symposium, Lubbock, Texas. (April 1987)
• "Molecular Orbital Studies of Propiolic Acid," Edmund Ndip and R.L. Redington, American Chemical Society South Plains Section Second Annual Chemical Research Symposium, Lubbock, Texas. (April 1987)
• "Vibrational Analysis of Propynoic Acid," Edmund Ndip and R. L. Redington, 40th Southwest Regional Meeting of the American Chemical Society, Lubbock, Texas. (April 1984)
• "The Photochemical Transformation of Oxime Carbamates - Methomyl" Edmund Ndip and P. K. Freeman, 36th Annual Northwest Regional Meeting of the American Chemical Society, Bozeman, Montana. (June 1981)

Selected Professional Activities

• Visiting Professor/Scientist, Department of Chemistry, Pennsylvania State University, State College, PA. (Summer 2005)
• Faculty Mentor/Fellow, NSF CREST Computational Centre for Molecular Structure and Interactions, Jackson State University, Jackson, MS (Summer 2003)
• Visiting Professor/Diversity Fellow, Department of Chemistry, Virginia Polytechnic Institute and State University, Blacksburg, Virginia (Summer 1998)
• Visiting Professor/Scientist, NSF Center for Photo-Induced Charge Transfer, Department of  Chemistry, University of Rochester, Rochester, New York (Summer 1995, 1996, 1997)

Awards / Honors

• Recipient, Edward L. Hamm, Sr. Distinguished Teaching Award (2008)
• ACS Hampton Roads Local Section Outstanding Achievement in Chemistry (Service) Award, (April 2005)
•  2002 / 2003  America’s Registry of Outstanding Professionals
• Acting (Interim) Chair, Department of Chemistry, Hampton University (August 2000-July 2001)
• International Students Association-African Students Association Appreciation of Service Award. Texas A&M University, College Station, Texas(1988)
• Robert A. Welch Foundation Predoctoral and Postdoctoral Fellowships, Department of Chemistry and Biochemistry, Texas Tech University. (1982 - 1987)
• Cameroon Government Scholar. (1982 - 1986)
• American Chemical Society South Plains Section and Department of Chemistry Outstanding Achievement in Chemistry - Research. (1987)
• American Chemical Society South Plains Section and Department of Chemistry Outstanding Teaching Assistant Award. (1986)
• National Institute for Environmental Health / Oregon State University Environmental Health Sciences Center Research Fellow. (1980-1981)

Professional Affiliations

• American Chemical Society (1980 – 2005, 2006 - ) and American Chemical Society's Divisions of Physical Chemistry, Polymers, Chemical Education and Computers in Chemistry.  American Chemical Society Hampton Roads Local Section. Chair, ACS Hampton Roads Local Section, (2004); Chair Elect, ACS Hampton Roads Local Section (2003)

• American Association for the Advancement of Science. (1987 - 2005)

• Council on Undergraduate Research. (1995 – 2005; 2006-); CUR Institutional Liaison (2001 – 2005)

• Minority Serving Institutions High Performance Computing Consortium(MSI HPC) Hampton University Representative (2001-   )

• Editorial Board: Internet Journal of Science-Journal of Biological Chemistry. (1997 – 1998 )

• World Association of Theoretically Oriented Chemists. (1997 -  )

• Virginia Academy of Sciences (1999– 2004) Chemistry Division, Secretary (2001-2002),

           Chair (2002-2003)

• The New York Academy of Sciences. (1987 - 1994)

• The American Institute of Chemists. (1986 - 1988)

Review Panels

• National Science Foundation
• American Chemical Society
• Research Corporation
• Bank of America Trust