Francisco Group

Dr. Joseph S. Francisco

Joseph Francisco
Elmer H. and Ruby M. Cordes Chair in Chemistry & Dean of the College of Arts and Sciences

University of Nebraska-Lincoln • 1223 Oldfather Hall • Lincoln NE, 68588-0312 • 402.472.6262 • jfrancisco3@unl.edu

Education

Provost Postdoctoral Fellow, Massachusetts Institute of Technology, 1985
Postdoctoral Research, Cambridge University (England), 1983-1985
Ph.D., Massachusetts Institute of Technology, 1983
B.S., University of Texas at Austin, 1977

Research Interests

Atmospheric chemistry, tropospheric and stratospheric chemical kinetics and modeling, atmospheric laser spectroscopy and photochemistry

Francisco Group Research Research
Francisco Group Awards Awards & Honors
Francisco Group Publications Publications
Francisco Group People People
 

Research

A graduate or postdoctoral student in the Francisco group can expect to receive training in atmospheric chemistry, chemical kinetics and theory and significant exposure to one or more of the following specialties: Atmospheric chemistry, tropospheric and stratospheric chemical kinetics and modeling, atmospheric laser spectroscopy and photochemistry.

Research in our laboratory focuses on basic studies in spectroscopy, kinetics and photochemistry of novel transient species in the gas phase. These species play an important role in atmospheric, biochemical and combustion processes. Yet questions dealing with how structures correlate to reactivity and photochemical mechanisms have not been addressed for these systems. These problems are addressed by research efforts in our laboratory. Specific research areas of interest are: 1) Spectroscopic determinations of electronic and vibrational transitions in free radicals; 2) Measurement of the kinetics of individual gas-phase reaction steps involving free radicals in complex reaction mechanisms; and 3) Characteristics of primary photo chemical processes that free radicals can undergo.

Theoretical and experimental methods are used cooperatively in extending spectroscopic information on these species. Our goal is to use state-of-the-art molecular orbital methods to predict properties that can be used as a guide in the experimental search. Using a variety of high resolution laser techniques, such as laser-induced fluorescence, vibrational and electronic emission, multiphoton and UV absorption spectroscopy, we aim to make spectroscopic measurements for these novel species in the gas phase, and fully characterize them.

Work in our laboratory includes measurements of the kinetics of elementary gas phase reactions of free radicals involved in complex reaction mechanisms. Using photolysis-laser induced fluorescence, photolysis-time resolved chemiluminescence, and photolysis-UV absorption techniques, we are able to study the reactions of specific intermediates in real-time. These techniques are used to study reactions involved in the gas phase atmospheric oxidation of chlorofluorocarbons and their potential replacements. This process is important toward understanding how the chemistry of man-made materials perturbs the ozone concentration profiles in the upper atmosphere.

Francisco Group Research

Recognitions

Dr. Francisco has received a National Science Foundation Presidential Young Investigator Award, an Alfred P. Sloan Fellowship, and a Camille and Henry Dreyfus Foundation Teacher-Scholar Award. In 1993, Francisco was a recipient of a John Simon Guggenheim Fellowship, which he spent at the Jet Propulsion Laboratory at the California Institute of Technology. In 1995, he received the Percy L. Julian Award for Pure and Applied Research, the highest research award from the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers. He was selected to be a Sigma Xi National Lecturer from 1995 to 1997. In 2007, Purdue University presented Dr. Francisco the McCoy Award - the highest research award given to a faculty member for significant research contributions. He is the recipient of the Edward W. Morley Medal from the American Chemical Society Cleveland Section for 2011. He is a Fellow of the American Chemical Society, American Physical Society and the American Association for the Advancement of Science. He is a Fellow of the American Academy of Arts and Sciences and a member of the National Academy of Sciences.

Dr. Francisco was appointed Atmospheric and Ocean Science Editor for Pure and Applied Geophysics from 1998-2001. He has also served as a member of the Editorial Advisory Boards of the Journal of the American Chemical Society, Journal of Physical Chemistry, Spectrochimica Acta Part A, Journal of Molecular Structure Theochem, and Theoretical Chemistry Accounts. He is a co-author of the textbook Chemical Kinetics and Dynamics, published by Prentice-Hall, and translated in Japanese. This textbook, has been in print for nearly three decades and is the fundamental textbook in the field that has taught an entire generation the principles of chemical kinetics and dynamics. He has also published over 475 peer reviewed publications in the fields of atmospheric chemistry, chemical kinetics, quantum chemistry, laser photochemistry and spectroscopy.

The German government selected Dr. Francisco for an Alexander von Humboldt U.S. Senior Scientist Award, and the University of Bologna, Italy, appointed him as a Senior Visiting Fellow at the Institute of Advanced Studies. He is Professeur Invite at the Universite de Paris-Est, France; a Visiting Professor at Uppsala Universitet, Sweden; Honorary International Chair Professor, National Taipei University, Taiwan; and an honorary life member of the Israel Chemical Society.

He was President of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers from 2005-2007, and served on its Board of Directors from 2003-2007. Dr. Francisco has served on the Board of Directors for the Council for Chemical Research, and the Board of Directors for the American Chemical Society from 2009-2011. He currently serves on the Alexander von Humboldt Foundation International Advisory Board, as well as, the Board of Trustees of the Gordon Research Conferences. He was President of the American Chemical Society for 2010.

President Barack Obama appointed Dr. Francisco as a member of the President’s Committee on the National Medal of Science serving the term from 2010-2015. He has been a member of the Naval Research Advisory Committee for the Department of Navy (appointed by the Secretary of the Navy, 1994-1996). He was honored on the floor of the 113th U.S. House of Representatives. The University of South Florida, Knox College, University of Arkansas at Little Rock and Tuskegee University awarded him honorary degrees of Doctor of Science, Honoris Causa.

Publications Since 2005

448.  M. Torrent-Sucarrat, J. S. Francisco, and J.M. Anglada, Sulfuric Acid as Auto-Catalyst in the Formation of Sulfuric Acid, J. Am. Chem. Soc., 134, 20632-20644 (2012); see also Science, 339, 120 (2013).

447.  M.T.C. Martins-Costa, J.M. Anglada, J.S. Francisco, and M.F. Ruiz-Lopez, Reactivity of Small Radicals of Atmospheric Interest at the Air/Water Interface, Angew. Chem. Int. Ed.51, 5413-5417 (2012).

446.  L. Vereecken and J.S. Francisco, Theoretical Studies of Atmospheric Reaction Mechanisms in the Troposphere, Chem. Soc. Rev.41, 6259-6293 (2012).

445.  M.T.C. Martins-Costa, J.M. Anglada, J.S. Francisco, and M.F. Ruiz-Lopez, Reactivity of Volatile Organic Compounds at the Surface of a Water Droplet, J. Am. Chem. Soc., 134, 11821-11827 (2012).

444.  R. Linquerri and J.S. Francisco, Structural and Spectroscopic Properties of the H2O2-H2O Complex, J. Chem. Phys.137, 214312 (2012).

443.  R.C. Fortenberry, X. Huang, J.S. Francisco, T.D. Crawford, T.J. Lee, Fundamental Vibrational Frequencies and Spectroscopic Constants of HOCS+ and HSCO+, and Isotopologues via Quartic Force Fields J. Phys. Chem. A.116, 9582-9590 (2012).

442.  S.B. Yaghlane, J.S. Francisco, and M. Hochlaf, Accurate Theoretical Study of PSq (where q=0, +1, -1) in the Gas Phase, J. Chem. Phys.136, 244309 (2012).

441.  M. Hochlaf, R. Linquerri, S.S. Dalal, and J.S. Francisco, Theoretical Study of the Spectroscopically Relevant Parameters for the Detection of HNPq and HPNq

( q=0,+1,-1) in the Gas Phase, J. Chem. Phys.136, 244311 (2012).

440.  M.K. Hazra, J.S. Francisco, and A. Sinha, Computational Study of Hydrogen-Bonded Complexes of HOCO with Acids: HOCO…..HCOOH, HOCO…..H2SO4  and HOCO…..H2CO3, J. Chem. Phys.137, 064319 (2012).

439.  C.E. Cotton, J.S. Francisco, R. Linquerri, and A. P. Mitruschchenkov, Structural and Spectroscopic Study of the van der Waals Complex of CO with HCO+ and the Isoelectronic CS with HCS+ Complex, J. Chem. Phys.136, 184307 (2012).

438.  X. Zeng, H. Beckers, H. Willner and J.S. Francisco, Experimental Observation of 16-Electron Molecules: SPN, SNP, and Cyclic PSN, Angew. Chem. Int. Ed.51, 3334-3339 (2012).

437.  R.J. Buszek, J. S. Francisco and J.R. Barker, Water Effect on the OH + HCl Reaction, J. Phys. Chem. A.116, 4712-4719 (2012).

436.  R.C. Fortenberry, X. Huang, J.S. Francisco, T.D. Crawford, T.J. Lee, Quartic Force Field Predictions of the Fundamental Vibrational Frequencies and Spectroscopic Constants of the Cations HOCO+ and DOCO+, J. Chem. Phys., 136, 234309 (2012).

435.  A.C. Davis and J.S. Francisco, Hydrogen Migrations in Alkylcycloalky Radicals: Implications for Chain Branching Reactions in Fuels, Chem. Euro. J., 18, 11296-11305 (2012).

434.  R.J. Buszek, M. Torrent-Sucarrat, J.M. Anglada, and J.S. Francisco, The Effects of a Single Water on the OH + H2O2 Reaction, J. Phys. Chem. A.116, 5821-5829 (2012).

433.  S.I. Kokkila, P.P. Bera, J.S. Francisco, T.J. Lee, A Group Increment Scheme for Infrared Absorption Intensities of Greenhouse Gases, J. Mol. Struct.1009, 89-95 (2012).

432.  A.C. Davis and J.S. Francisco, Ab Initio Study of Chain Branching Reactions Involving Second Generation Products in Hydrocarbon Combustion Mechanisms, Phys. Chem. Chem. Phys.14, 1343-1351 (2012).

431.  A.C. Davis, and J. S. Francisco, Ab Initio Study of Key Branching Reactions in Biodiesel and Frischer-Tropsch Fuels, J. Am. Chem. Soc.133,19110-19124 (2011).

430.  J. Clark, J.C. Hansen, and J.S. Francisco, NHx-Acid Complexes and Their Role in the Formation of Atmospheric Aerosols, J. Chem. Phys.135, 244305 (2011).

429.  C.C. Wu, H.C. Lin, Y.B. Chang, P.Y. Tsai, Y.Y. Yeh, R.C. Lin, and J.S. Francisco, Br2 Molecular Elimination in Photolysis of (COBr)2 at 248 nm by Using Cavity Ring-down Absorption Spectroscopy: A Photodissociation Channel Being Ignored, J. Chem. Phys.135, 234308 (2011).

428.  R.C. Fortenberry, X. Huang, J.S. Francisco, T.D. Crawford, T.J. Lee, Vibrational Frequencies and Spectroscopic Constants  from Quartic Force Fields for cis-HOCO: the Radical and the Anion, J. Chem. Phys., 135, 214303 (2011).

427.  R.J. Buszek, J.M. Anglada, and J.S. Francisco, Water Effect on Atmospheric Reactions, Int. Rev. Phys. Chem.(Invited)30, 335-369 (2011).

426.  A.C. Davis and J.S. Francisco, Reactivity Trends Within Alkoxy Radical Reactions Responsible for Chain Branching, J. Am. Chem. Soc., 133, 18208-18219 (2011).

425.  R.C. Fortenberry, X. Huang, J.S. Francisco, T.D. Crawford, T.J. Lee, The trans-HOCO Radical: Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants, J. Chem. Phys., 135, 134301 (2011).

424.  D. J. Wuebbles, K.O. Patten, D. Wang, D. Youn, M. Martinez-Aviles, J. S. Francisco, Three-dimensional model evaluation of the Ozone Depletion Potentials for n-propyl bromide, trichloroethylene and perchloroethyleneAtmos. Chem. Phys., 11, 2371-2380 (2011).

423.  S. Du, J.S. Francisco, and J.R. Lyons, Determination of the S+S2 Rate Constant for Recombination by Quasi-Classical Trajectory Calculations, J. Chem. Phys., 134,154508 ( 2011).

422.  A.C. Davis and J.S. Francisco, Ab initio Study of Hydrogen Migration Across Alkyl Radicals, J. Phys. Chem. A.115, 2966-2977 (2011).

421.  K.A. Peterson and J.S. Francisco, Ab initio Spectroscopic Characterization of the HNNO and ONHN Radicals, J. Chem. Phys.134, 084308 (2011).

420.  J. Gonzalez, J.M. Anglada, R.J. Buszek, and J.S. Francisco, The Impact of Water on the OH + HOCl Reaction, J. Am. Chem. Soc.133, 3345-3353 (2011).

419.  M. Torrent-Sucarrat, M.F. Ruiz-Lopez, M.Martins-Costa, J.S. Francisco, J.M. Anglada, Protonation of Water Clusters Induced by the Hydroperoxyl Radical Surface Absorption, Chem. Euro. J., 17, 5076-5085 (2011).

418.  R.J. Buszek, A. Sinha, and J.S. Francisco, The Isomerization of Methoxy Radical: Intramolecular Hydrogen Atom Transfer Mediated Through Acid Catalysis, J. Am. Chem. Soc.133, 2013-2015 (2011).

417.  J.S. Francisco, J.T. Muckerman, and H.G. Yu, HOCO Radical Chemistry, Acc. Chem. Res., 43, 1519-1526 (2010).

416.  A.C. Davis and J.S. Francisco, Ab initio Study of Hydrogen Migration Across Alkylperoxy Radicals, J. Phys. Chem. A.114, 11492-11505 (2010).

415.  C.J. Christiansen and J.S. Francisco, Atmospheric Oxidation of Trichloroethylene: An Ab Initio Study, J. Phys. Chem. A., 114, 9163-9176 (2010).

414.  C.J. Christiansen and J.S. Francisco, Atmospheric Oxidation of Tetrachloroethylene: An Ab Initio Study, J. Phys. Chem. A., 114, 9177-9191 (2010).

413.  P.P. Bera, J.S. Francisco, and T.J. Lee, Design Strategies to Minimize the Radiative Efficiency of Global Warming Molecules, Proc. Natl. Acad. Sci. USA.107, 9049-9054 (2010).

412.  H.Q. Doan, A. C. Davis, J.S. Francisco, Primary Steps in the Reaction of OH Radicals with Model Amides, J. Phys. Chem. A., 113, 5342-5357 (2010).

411.  D.J. Grant, E.B. Garner III, M.H. Matus, M.T. Nguyen, K.A. Peterson, J.S. Francisco and D.A. Dixon, The Thermodynamic Properties of the XO2, X2O, XYO, X2O2, and XYO2 (X,Y=Cl, Br, and I) Isomers, J. Phys. Chem. A., 114, 4254-4265 (2010).

410.  C.J. Christiansen, S.S. Dalal, J.S. Francisco, A.M. Mebel, J.S. Gaffney, Hydroxyl Radical Substitution in Halogenated Carbonyls: Oxalic Acid Formation, J. Phys. Chem. A., 114, 2806-2820 (2010).

409.  P. Soloveichik, B.A. O’Donnell, M.I. Lester, J.S. Francisco and A.B. McCoy, Infrared Spectrum and Stability of the OH-H2O Complex: Experiment and Theory, J. Phys. Chem. A.114, 1529-1538 (2010).

408.  H.G. Yu and J.S. Francisco, Ab initio and RRKM Study of the Reaction of ClO with HOCO Radicals, J. Phys. Chem. A.113, 12932-12941 (2009).

407.  W. Eisfeld and J.S. Francisco, Structure, Spectroscopic Properties, and Photochemistry of the Hydroxymethoxy Radical, J. Chem. Phys.131, 134313 (2009).

406.  S. Du, J.S. Francisco, G.K. Schenter, and B.C. Garrett, Interaction of ClO Radical with Liquid Water, JAm. Chem. Soc., 131, 14778-14785 (2009).

405.  D.J. Grant, D.A. Dixon, and J.S. Francisco, Heats of Formation of the HXmYnH

(X=O;Y=S; m,n=0-3)  Systems from Electronic Structure Calculations, J. Phys. Chem. A.,113, 11343-11353 (2009).

404.  S. Du and J.S. Francisco, OH-N2 and SH-N2 Radical-Molecule Van der Waals Complex, J. Chem. Phys., 131, 064307 (2009).

403.  P.P. Bera, J.S. Francisco, and T.J. Lee, Identifying the Molecular Origin of Global Warming, J. Phys. Chem. A.113, 12694-12699 (2009).

402.  J.S. Francisco and W. Eisfeld, Atmospheric Oxidation Mechanism of Hydromethyl Hydroperoxide, J. Phys. Chem. A., 113, 7593 – 7600 (2009).

401.  C.J. Christiansen and J.S. Francisco, Atmospheric Oxidation Mechanism of 1,2-Dibromoethane, J. Phys. Chem. A., 113, 7189 – 7204 (2009).

400.  M. Lissmann, B. Hansmann, B. Abel, P. Blachly, and J.S. Francisco, Primary Steps in the Reaction of OH Radicals with Biomolecules at Low Temperatures in Laval Nozzle Expansion Perspectives from Experimental and Theory, J. Phys. Chem. A.113, 7570 – 7575 (2009).

399.  S. Du, J.S. Francisco, and S. Kais, Study of the Electronic Structure and Dynamics of Interacting Free Radicals Influenced by Water, J. ChemPhys., 130,124312 (2009).

398.  H.-G. Yu, J.T. Muckerman, and J.S. Francisco, A Theoretical Study of the Reaction of CH3 with HOCO Radicals,  J. PhysChem. A.113, 3844-3849 (2009).

397.  G. Poggi and J.S. Francisco, An Ab Initio Study of the Reaction of HOCO Radicals with NO2: Addition/Elimination Mechanism, J. Chem. Phys., 130,124306 (2009).

396.  R.J. Buszek and J.S. Francisco, The Gas Phase Decomposition of CF3OH with Water: A Radical Catalyzed Mechanism, J. Phys. Chem. A.113, 5333-5337 (2009).

395.  S. Du and J.S. Francisco, Spectroscopic Properties and Stability of the SH-H2O Open Shell Complex, J. Chem. Phys., 130, 124304 (2009).

394.  J. Franz, J.S. Francisco, S.D. Peyerimhoff, Production of Singlet Oxygen Atoms by Photodissociation of Oxywater,  J. Chem. Phys., 130, 084304 (2009).

393.  B.A. O’Donnell, E.X.J. Li, M.I. Lester, and J.S. Francisco, Spectroscopic Identification and Stability of the Intermediate in the OH + HONO2 Reaction, Proc. Natl. Acad. Sci. USA105, 12678-12683 (2008).

392.  R.M. Ravelo and J.S. Francisco, Proton Affinity of Methyl Nitrite and Methyl Peroxynitrite: Implications for Measuring Branching Ratios of Alkyl Nitrate and Nitrites, JAm. ChemSoc308, 11234-11239 (2008).

391.  H.G. Yu, J.T. Muckerman, G. Poggi, and J.S. Francisco, Energetics and Molecular Dynamics of the Reaction of HOCO with HO2 Radicals, J. Chem. Phys.129, 214307 (2008).

390.  K.A. Peterson, D.A. Dixon, and J.S. Francisco, ClClO2  is the Most Stable Isomer of Cl2O2. Accurate Coupled Cluster Energetics and Electronic Spectra of Cl2O2 Isomers, J. Phys. Chem. A., 112, 9623-9627 (2008).

389.  H.-G. Yu, J.S. Francisco, and J.T. Muckerman, Ab Initio and Direct Dynamics Study of the Reaction of HOCO with Cl Atoms, J. Chem. Phys., 129, 064301 (2008).

388.  H.-G. Yu, J.T. Muckerman, and J.S. Francisco, Energetics and Kinetics of the Reaction of HOCO with Hydrogen Atoms, J. Chem. Phys., 128, 244315 (2008).

387.  J. Matthews, M. Martinez-Aviles, J.S. Francisco, and A. Sinha, Probing OH Stretching Overtones of CH3OOH Through Action Spectroscopy: Influence of Transition Dipole Moment Dependence on  HOOC Torsion, JChem. Phys.129, 074316 (2008).

386.  M. Martinez-Aviles, C.M. Rosedo-Reyes, and J.S. Francisco, Atmospheric Oxidation Mechanism of Bromopropane, J. Phys. Chem. A., 112, 7930-7938 (2008)

385.  S. Du, K.A. Peterson, and J.S. Francisco, Determination of the Rate Constant for Sulfur Recombination by Quasiclassical Trajectory Calculations, J. Chem. Phys.128, 204306 (2008).

384.  W. Eisfeld and J.S. Francisco, Excited States of Hydroxymethyl Hydroperoxide, J. Chem. Phys.128, 174304 (2008).

383. S. Du and J.S. Francisco, Interaction between OH Radical and the Water Interface, J. Phys. Chem. A.112, 4826-4835 (2008).

382.  J. Switzer, D.J. Grant, M.H. Matus, D.A. Dixon, and J.S. Francisco, Bond Dissociation Energies in Second Row Compounds, J. Phys. Chem. A., 112, 3145-3156 (2008).

381.  D.J. Grant, D.A. Dixon, A.E. Kemeny and J.S. Francisco, On the Structure and Heat of Formation of the Neutral and Ionic PNO, NOP, and PON Systems from Electronic Structure Calculations, J. Chem. Phys.128, 164305 (2008).

380.  K.A. Peterson, A. Mitrushchenkos and J.S. Francisco, A Theoretical Study of the Spectroscopic Properties of the Ground and First Excited Lowest Two Electronic States of HS2, Chem. Phys., (Invited) 346, 34-44 (2008).

379.  M. Martinez-Aviles, S. Yang, and J.S. Francisco, Structure and Vibrational Spectra of Bromine Reservoir Species from the Atmospheric Oxidations of Bromoethane and Bromopropane, MolPhys.,(Invited) 106299-314 (2008).

378.  S. Du, J.S. Francisco, G.K. Schenter, and B.C. Garrett, Many-Body Decomposition of the Binding Energies for OH(H2O)2 and OH(H2O)3 Complexes, J. Chem. Phys., 128, 084307 (2008).

377.  J.A.W. Harkless and J.S. Francisco, Bond Dissociations and Conformational Energetics of Tetrasulfur: a Quantum Monte Carlo Study, J. Phys. Chem. A, 112, 2088-2092 (2008).

376.  R.M. Ravelo and J.S. Francisco, Proton Affinity of Methyl Peroxynitrate, J. Phys. Chem. A, 112, 1981-1985 (2008).

375.  J. Clark, A. Mower, J. Hansen, and J.S. Francisco, Computational Study on the Existence of Organic Peroxy Radical-Water Complexes (RO2-H2O), J. Phys. Chem. A112, 1587-1595 (2008).

374.  H. Beckers, P. Garcia, H. Willner, G.A. Arguello, C.J. Cobos, and J.S. Francisco, Matrix Isolation and ab initio study of FSO5. A Molecular Complex that Contains 4 Catenated Oxygen Atoms, Angew. Chem. Int. Ed.46, 3754-3757 (2007).

373.  E. Vohringer-Martinez, B. Hansmann, H. Hernandez, J.S. Francisco, J. Troe, and B. Abel, Water Catalysis of a Radical-Molecule Gas Phase Reaction, Science315, 497-501 (2007).

372.  M. Martinez-Aviles, C.M. Rosado-Reyes, and J.S. Francisco, Atmospheric Oxidation Mechanism of Bromoethane, J. Phys. Chem. A., 111,  11652-11660 (2007).

371.  H. Hernandez, F. Weinhold and J.S. Francisco, Radical Hydrogen Bonding: Origin of Stability of Radical-Molecule Complexes, J. Chem. Phys.127, 164102 (2007).

370.  H.-G. Yu, J.T. Muckerman, and J.S. Francisco, Quantum Force Molecular Dynamics Study of the O+HOCO Reaction, J. Chem. Phys.127, 094301 (2007).

369.  K.K. Irikura and J.S. Francisco, Competition Between Hydrogen Abstraction and Halogen Displacement Reaction of Br Atoms with CH3X (where X=Cl, Br and I), J. Phys. Chem. A., 111, 6852-6859 (2007).

368.  J.S. Francisco, Sulfur Atom Exchange in Reactions of SH Radicals with S Atoms, J. Chem. Phys., 126, 214301 (2007).

367.  D.J. Grant, D.A. Dixon, and J.S. Francisco, Coupled Cluster Study of the Energetic Properties of S2x (where x=0, +1, -1), J. Chem. Phys., 126, 144308 (2007).

366.  M.H. Matus, D.A. Dixon, K.A. Peterson, J.A.W. Harkless, and J.S. Francisco, A Coupled- Cluster Theory Study of the Electronic Structure and Energetics of Tetrasulfur, S4, J. Chem. Phys.127, 174305 (2007).

365.  S. Du, J.S. Francisco, G.K. Schenter, and B. Garrett, Ab Initio and analytical intermolecular potential for ClO-H2O, J. Chem. Phys.126, 114304 (2007).

364.  C.M. Rosado-Reyes and J.S. Francisco, Atmospheric Oxidation Pathways of Propane and its By-Products: Acetone, Acetaldehyde, and Propionaldehyde, J. Geophys. Res. Atmosphere112, D14310 (2007).

363.  G. Poggi and J.S. Francisco, Hydrogen Atom Abstraction from HOOOCl by Chlorine Atom and OH Radical, Inorg. Chimi. Acta. (Invited), 360, 837-831 (2007).

362.  S. Guha and J.S. Francisco, Ab Initio Study of the Structures, Vibrational Spectrum and Energetics of Aluminum Hydrosulfide, Astrophysical J., 671, 2159-2163 (2007).

361.  J.D. Watts and J.S. Francisco, Ground and Electronically Excited States of Methyl Hydroperoxide, J. Chem. Phys., 125, 104301 (2006).

360.  K.A. Peterson, J.S. Francisco, and J.R. Lyons, Excited States for S3, J. Chem. Phys., 125, 084314 (2006).

359.  J.R. Greene, J.S. Francisco, J. Huang, D. Xu, and W.M. Jackson, Ultraviolet Photodissociation of CBr4 at 267 nm Using Ion Velocity Imaging, J. Chem. Phys., 125, 133311 (2006).

358.  S. Du, J.S. Francisco, G.K. Schenter, T.D. Iordanov, B. Garrett, M. Dupuis, and J. Li, The OH Radical-H2O Molecular Interaction Potential, J. Chem. Phys., 124, 224317 (2006).

357.  C.M. Rosado-Reyes and J.S. Francisco, Atmospheric Oxidation Pathways of Acetic Acid, J. Phys. Chem. A110, 4419-4433 (2006).

356.  J.S. Francisco and J.N. Crowley, A Theoretical Investigation of Product Channels in the CH3O2 + Br Reaction, J. Phys. Chem A., 110, 6948-6959 (2006).

355.  J.S. Francisco, Ab Initio Study of the Structure, Vibrational Spectra, and Energetics of XBS+ (where X=H, F, and Cl), J. Chem. Phys., 124, 114303 (2006).

354.  L. Christensen, J.C. Hansen, M. Okumura, S.P. Sander and J.S. Francisco, Experimental and Ab Initio Study of the HO2-CH3OH Complex: Thermodynamics and Kinetics of Formation, J. Phys. Chem. A., 110, 3778-3784 (2006).

353.  D.A. Dixon, J.S. Francisco, and Y. Alexeev, Thermochemical Properteis of NOHx Molecules and Ions from Ab Initio Electronic Structure Theory, J. Phys. Chem. A., 110, 185-191 (2006).

352.  J.M.C. Plane, D.M. Joseph, B.J. Allan, S.H. Ashworth, and J.S. Francisco, An Experimental and Theoretical Study of the Reactions OIO+NO and OIO+OH, J. Phys. Chem. A110, 93-100 (2006).

351.  Y. Li and J.S. Francisco, Mechanism for the Hydrolysis of Peroxyacetyl Nitrate (PAN): The Importance of the Second Water Molecule, J. Am. Chem. Soc., 127, 12144-12146 (2005).

350.  J. Matthews, A. Sinha, and J.S. Francisco, The Importance of Weak Absorption Features to Contributions in Tropospheric Radical Production, Proc. Natl. Acad. Sci. USA., 102, 7449-7452 (2005).

349  B. Suitte, S.D. Belair, and J.S. Francisco, Spectroscopic Characterization of the Five Possible Orientations of a Hydrogen Bonded Pair of Water Molecules within Cubic Water Octamer Framework, Phys. Rev. A., 71, 043204 (2005).

348.  J.S. Francisco, J.R. Lyons, and I.H. Williams, High Level ab Initio Studies of the Structure, Vibrational Spectra and Energetics of S3, J. Chem. Phys., 123, 054302 (2005).

347.  H.-G. Yu, J.T. Muckerman, and J.S. Francisco, Direct ab Initio Dynamics Study of the OH+HOCO Reaction, J. Phys. Chem. A.109, 5230-5236 (2005).

346.  Q. Shi, S. Kais and J.S. Francisco, Graph Theory for Fused Cubic Clusters of Water Dodecamer, JPhys. Chem. A109, 12036-12045 (2005).

345.  D.J. Goebbert, H. Hernandez, J.S. Francisco, and P.G. Wenthold, The Binding Energy and Bonding in Dialane, J. Am. Chem.. Soc., 127, 11684-11689 (2005).

344.  C.M. Rosado-Reyes, J.S. Francisco, J.J. Szente, M.M. Maricq, and L.F. Oestergaard, Dimethyl Ether Oxidation at Elevated Temperatures, J. Phys. Chem. A109, 10940-10953 (2005).

343.   J. Matthews, A. Sinha, and J. S. Francisco, Unimolecular Dissociation of CH3OOH, J. Chem. Phys., 122, 221101 (2005).

342.  S. von Ahsen and J.S. Francisco, Spectroscopic Evidence for the Existence of the CF3OSO3 Radical, J. Phys. Chem. A., 109, 9193-9195 (2005).

341.  M. Schnell, J.S. Francisco, and S. Peyerimhoff, Electronic Excited State Potential Energy Surfaces for HOOOCl, PhysChemChem. Phys., 7, 1912-1917 (2005).

340.  A.B. McCoy, J.L. Fry, J.S. Francisco, S.P. Sander, A.K. Mollner, and M.Okamura, Theoretical and Experimental Investigation of the First Overtone Spectrum of cis-cis HOONO: The Role of OH-Stretch/Torsion Coupling and Quantum Yield Effects, J. Chem. Phys., 122, 104311 (2005).

339.  E.S. Whitney, A.M. Zolot, A.B. McCoy, J.S. Francisco, and D.J. Nesbitt, Simple Impulsive Model Reactive Scattering Dynamics in Atom + Polyatomic Systems: F+C2H6→HF(v,J)+C2H5, J. Chem. Phys.122, 124310 (2005).

338.  S.D. Belair, J.S. Francisco, and S.J. Singer, Hydrogen Bonding in Cubic (H2O)8 and OH•(H2O)7 Clusters, PhysRev. A., 71, 013204 (2005).

337.  M. Kronberg, S. von Ahsen, H. Willner and J.S. Francisco, Spectroscopic Characteristic of SF5Ox Radicals (x=0-3), Angew. Chem. Int. Ed., 44, 253-257 (2005).

People

Jaeil Bai

Jaeil Bai

Research Assistant Professor

Postdoctoral Fellow, Department of Chemistry, University of Nebraska-Lincoln (2004-2010)
Ph.D., Physics and Astronomy, University of Nebraska-Lincoln (2004)
M.S., Korea University, Seoul, Korea (1992)
B.S., Korea University, Seoul, Korea (1990)


Manoj Kumar

Manoj Kumar

Postdoctoral Fellow

Postdoctoral Fellow, University of Kansas (2012-2015)
Ph.D., University of Louisville (2007-2012)
M.Sc., Panjab University (2004-2006)
B.Sc., SVSD PG College (2001-2004)

Curriculum Vitae
Research Biography
Selected Publications

Purdue Alumni

 
Graduate Students
Steven Belair
John Borishm
Robert Buszek
Eric Cotton
Mary Crawford
Alex Davis
Shiyu Du
David Good
Mandy Green
Jamila Greene
Sujata Guha
Jaron Hansen
Heriberto Hernández
Carrie Jensen
Alan Kennedy
Mónica Martínez-Avilés
Gayle Nicoll
Rose Ravelo
Claudette M. Rosado-Reyes
Bryant Suitte
Simone Aloisio
 
Undergraduate Students
Eric Aaltonen
Dan Beck
Patrick Blanchly
Shakeel Dalal
Carlos Diaz
Hoang Doan
Brad Flowers
Sienna Henning
Phylindia Gant
Jonathan Gerber
Mike Kambores
Andre Kemeny
Matt Pendlum
Shane Petersen
Randy Santiano
Narin Tangprasertchai
Don Taylor
Whitney Vann