Joseph S. Francisco - Publications

Affiliations: 
Chemistry Purdue University, West Lafayette, IN, United States 
Area:
spectroscopy, kinetics and photochemistry of novel transient species in the gas phase
Website:
http://www.chem.purdue.edu/people/faculty/faculty.asp?itemID=32

279 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Ruiz-López MF, Martins-Costa MTC, Anglada JM, Francisco JS. A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface. Journal of the American Chemical Society. PMID 31589817 DOI: 10.1021/jacs.9b07912  0.64
2019 Trabelsi T, Anglada JM, Ruiz-López MF, Francisco JS. Photochemistry of HOSO radical in the gas phase. The Journal of Chemical Physics. 151: 111103. PMID 31542027 DOI: 10.1063/1.5119704  0.8
2019 Zhu C, Francisco JS. Production of hydrogen peroxide enabled by microdroplets. Proceedings of the National Academy of Sciences of the United States of America. PMID 31484759 DOI: 10.1073/pnas.1913311116  0.4
2019 Zhu C, Gao Y, Zhu W, Jiang J, Liu J, Wang J, Francisco JS, Zeng XC. Direct observation of 2-dimensional ices on different surfaces near room temperature without confinement. Proceedings of the National Academy of Sciences of the United States of America. PMID 31375634 DOI: 10.1073/pnas.1905917116  0.4
2019 Martins-Costa MTC, Anglada JM, Francisco JS, Ruiz-Lopez M. Theoretical Investigation of the Photoexcited NO2 + H2O reaction at the Air-Water interface and Its Atmospheric Implications. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31241211 DOI: 10.1002/chem.201902769  0.64
2019 Liu Y, Huang Y, Zhu C, Li H, Zhao J, Wang L, Ojamäe L, Francisco JS, Zeng XC. An ultralow-density porous ice with the largest internal cavity identified in the water phase diagram. Proceedings of the National Academy of Sciences of the United States of America. PMID 31182582 DOI: 10.1073/pnas.1900739116  0.4
2019 Zhong J, Kumar M, Anglada JM, Martins-Costa MTC, Ruiz-Lopez MF, Zeng XC, Francisco JS. Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces. Annual Review of Physical Chemistry. 70: 45-69. PMID 31174459 DOI: 10.1146/annurev-physchem-042018-052311  0.64
2019 Fortenberry RC, Trabelsi T, Westbrook BR, Del Rio WA, Francisco JS. Molecular oxygen generation from the reaction of water cations with oxygen atoms. The Journal of Chemical Physics. 150: 201103. PMID 31153175 DOI: 10.1063/1.5102073  1
2019 Saiz-Lopez A, Acuna AU, Trabelsi T, Carmona-García J, Davalos JZ, Rivero D, Cuevas CA, Kinnison DE, Sitkiewicz SP, Roca-Sanjuán D, Francisco JS. Gas-phase photolysis of Hg(I) radical species: a new atmospheric mercury reduction process. Journal of the American Chemical Society. PMID 31117649 DOI: 10.1021/jacs.9b02890  0.8
2019 Zhu W, Huang Y, Zhu C, Wu HH, Wang L, Bai J, Yang J, Francisco JS, Zhao J, Yuan LF, Zeng XC. Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram. Nature Communications. 10: 1925. PMID 31028288 DOI: 10.1038/s41467-019-09950-z  0.4
2019 Anglada JM, Martins-Costa MTC, Francisco JS, Ruiz-López MF. Triplet state promoted reaction of SO with HO by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes. Physical Chemistry Chemical Physics : Pccp. PMID 31025661 DOI: 10.1039/c9cp01105f  0.64
2019 Zhong J, Li H, Kumar M, Liu J, Liu L, Zhang X, Zeng XC, Francisco JS. New Mechanistic Insight into the Reaction of Organic Acids with SO3 at the Air-Water Interface. Angewandte Chemie (International Ed. in English). PMID 30980573 DOI: 10.1002/anie.201900534  0.4
2019 Wu Z, Chen C, Liu J, Lu Y, Xu J, Liu X, Cui G, Trabelsi T, Francisco JS, Mardyukov A, Eckhardt AK, Schreiner PR, Zeng X. Caged Nitric Oxide-Thiyl Radical Pairs. Journal of the American Chemical Society. PMID 30758958 DOI: 10.1021/jacs.8b12746  0.8
2019 Huang H, Zhong J, Ma L, Lv L, Francisco JS, Zeng XC. Reconciling the Debate on the Existence of Pentazole HN5 in the Pentazolate Salt of (N5)6(H3O)3(NH4)4Cl. Journal of the American Chemical Society. PMID 30703317 DOI: 10.1021/jacs.8b11335  0.4
2019 Hoehn RD, Francisco JS, Kais S, Kachmar A. Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis. Scientific Reports. 9: 668. PMID 30679543 DOI: 10.1038/s41598-018-36900-4  0.6
2018 Fu Z, Zhang S, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R. A synergetic stabilization and strengthening strategy for two-dimensional ordered hybrid transition metal carbides. Physical Chemistry Chemical Physics : Pccp. PMID 30475359 DOI: 10.1039/c8cp06458j  1
2018 Trabelsi T, Mahjoubi K, Mehnen B, Hochlaf M, Francisco JS. Spectroscopy and Stability of AlOP: A Possible Progenitor of Interstellar Metal. The Journal of Physical Chemistry. A. PMID 30404446 DOI: 10.1021/acs.jpca.8b07843  0.8
2018 Westbrook BR, Dreux KM, Tschumper GS, Francisco JS, Fortenberry RC. Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide. Physical Chemistry Chemical Physics : Pccp. PMID 30298145 DOI: 10.1039/c8cp05378b  1
2018 Bai J, Francisco JS, Zeng XC. Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior. Proceedings of the National Academy of Sciences of the United States of America. PMID 30249649 DOI: 10.1073/pnas.1809198115  0.4
2018 Martins-Costa MTC, Anglada JM, Francisco JS, Ruiz-Lopez MF. Photochemistry of SO at the air-water interface. A source of OH and HOSO radicals. Journal of the American Chemical Society. PMID 30226769 DOI: 10.1021/jacs.8b07845  0.64
2018 Trabelsi T, Al-Mogren MM, Hochlaf M, Francisco JS. Mechanistic study of the photoexcitation, photoconversion, and photodissociation of CS. The Journal of Chemical Physics. 149: 064304. PMID 30111147 DOI: 10.1063/1.5040141  0.8
2018 Li H, Zhong J, Vehkamaki H, Kurtén T, Wang W, Ge M, Zhang S, Li Z, Zhang X, Francisco JS, Zeng XC. Self-Catalytic Reaction of SO3 and NH3 to Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation. Journal of the American Chemical Society. PMID 30088767 DOI: 10.1021/jacs.8b04928  0.4
2018 Xu J, Wu Z, Wan H, Deng G, Lu B, Eckhardt AK, Schreiner PR, Trabelsi T, Francisco JS, Zeng X. Phenylsulfinyl Radical: Gas-phase Generation, Photoisomerization, and Oxidation. Journal of the American Chemical Society. PMID 29989805 DOI: 10.1021/jacs.8b05055  0.8
2018 Wu Z, Song C, Liu J, Lu B, Lu Y, Trabelsi T, Francisco JS, Zeng X. Photochemistry of OPN: Formation of Cyclic PON and Reversible Combination with Carbon Monoxide. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29978924 DOI: 10.1002/chem.201803383  0.8
2018 Kumar M, Zhong J, Zeng XC, Francisco JS. Criegee intermediate inside fullerene cage: Evidence for size-dependent reactivity. The Journal of Chemical Physics. 148: 244301. PMID 29960314 DOI: 10.1063/1.5024786  0.4
2018 Arathala P, Kumar M, Francisco JS, Sinha A. Organic Acid Formation from the Atmospheric Oxidation of Gem Diols: Reaction Mechanism, Energetics, and Rates. The Journal of Physical Chemistry. A. PMID 29957938 DOI: 10.1021/acs.jpca.8b01773  0.6
2018 Li L, Duan Z, Li H, Zhu C, Henkelman G, Francisco JS, Zeng XC. Formation of HONO from the NH-promoted hydrolysis of NO dimers in the atmosphere. Proceedings of the National Academy of Sciences of the United States of America. PMID 29941594 DOI: 10.1073/pnas.1807719115  0.4
2018 Ge C, Zhu C, Francisco JS, Zeng XC, Wang J. A molecular perspective for global modeling of upper atmospheric NH from freezing clouds. Proceedings of the National Academy of Sciences of the United States of America. PMID 29848636 DOI: 10.1073/pnas.1719949115  0.4
2018 Fu Z, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R. Phonon-mediated stabilization and softening of 2D transition metal carbides: case studies of TiCO and MoCO. Physical Chemistry Chemical Physics : Pccp. PMID 29766161 DOI: 10.1039/c8cp00752g  1
2018 Fortenberry RC, Trabelsi T, Francisco JS. Hydrogen Sulfide as a Scavenger of Sulfur Atomic Cation. The Journal of Physical Chemistry. A. PMID 29750523 DOI: 10.1021/acs.jpca.8b02923  1
2018 Trabelsi T, Hochlaf M, Francisco JS. Toward the detection of the triatomic negative ion SPN: Spectroscopy and potential energy surfaces. The Journal of Chemical Physics. 148: 164305. PMID 29716237 DOI: 10.1063/1.5029275  0.8
2018 Zha XH, Ren JC, Feng L, Bai X, Luo K, Zhang Y, He J, Huang Q, Francisco JS, Du S. Bipolar magnetic semiconductors among intermediate states during the conversion from ScC(OH) to ScCO MXene. Nanoscale. PMID 29708262 DOI: 10.1039/c8nr01292j  1
2018 Kaneko T, Bai J, Akimoto T, Francisco JS, Yasuoka K, Zeng XC. Phase behaviors of deeply supercooled bilayer water unseen in bulk water. Proceedings of the National Academy of Sciences of the United States of America. PMID 29691325 DOI: 10.1073/pnas.1802342115  0.4
2018 Kumar M, Li H, Zhang X, Zeng XC, Francisco JS. Nitric Acid-Amine Chemistry in the Gas Phase and at the Air-Water Interface. Journal of the American Chemical Society. PMID 29689155 DOI: 10.1021/jacs.8b03300  0.4
2018 Zhong J, Kumar M, Francisco JS, Zeng XC. Insight into Chemistry on Cloud/Aerosol Water Surfaces. Accounts of Chemical Research. PMID 29633837 DOI: 10.1021/acs.accounts.8b00051  0.4
2018 Zhong J, Carignano MA, Kais S, Zeng XC, Francisco JS, Gladich I. Tuning the Stereo and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: the Isomerization of Glyoxal in Different Solvent Environments. Journal of the American Chemical Society. PMID 29619831 DOI: 10.1021/jacs.8b01503  0.6
2018 Dong X, Deng G, Wu Z, Xu J, Lu B, Trabelsi T, Francisco JS, Zeng X. Spectroscopic Identification of H2NSO and syn- and anti-HNSOH Radicals. Angewandte Chemie (International Ed. in English). PMID 29578623 DOI: 10.1002/anie.201802738  0.8
2018 Kumar M, Zhong J, Zeng XC, Francisco JS. Reaction of Criegee Intermediate with Nitric Acid at the Air-Water Interface. Journal of the American Chemical Society. PMID 29564890 DOI: 10.1021/jacs.8b01191  0.4
2018 Kumar M, Trabelsi T, Francisco JS. Can Urea Be a Seed for Aerosol Particle Formation in Air? The Journal of Physical Chemistry. A. PMID 29522335 DOI: 10.1021/acs.jpca.8b02189  0.8
2018 Cheraki M, Al-Mogren MM, Chambaud G, Francisco JS, Hochlaf M. On the Identification of Key Intermediates During the NO and HS Crosstalk Signaling Pathways. The Journal of Physical Chemistry. A. PMID 29488763 DOI: 10.1021/acs.jpca.7b11821  0.48
2018 Trabelsi T, Al Mogren MM, Hochlaf M, Francisco JS. Electronic and spectroscopic characterizations of SNP isomers. The Journal of Chemical Physics. 148: 054305. PMID 29421883 DOI: 10.1063/1.5013208  0.8
2018 Anglada JM, Crehuet R, Adhikari S, Francisco JS, Xia Y. Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer. Physical Chemistry Chemical Physics : Pccp. PMID 29383342 DOI: 10.1039/c7cp07570g  0.64
2018 Wu Z, Feng R, Xu J, Lu Y, Lu B, Yang T, Frenking G, Trabelsi T, Francisco JS, Zeng X. Photoinduced Sulfur-Nitrogen Bond Rotation and Thermal Nitrogen Inversion in Heterocumulene OSNSO. Journal of the American Chemical Society. PMID 29307182 DOI: 10.1021/jacs.7b12622  0.8
2017 Zhang H, Fu Z, Zhang R, Zhang Q, Tian H, Legut D, Germann TC, Guo Y, Du S, Francisco JS. Designing flexible 2D transition metal carbides with strain-controllable lithium storage. Proceedings of the National Academy of Sciences of the United States of America. PMID 29229853 DOI: 10.1073/pnas.1717219115  1
2017 Zhu C, Gao Y, Huang Y, Li H, Meng S, Francisco JS, Zeng XC. Controlling states of water droplets on nanostructured surfaces by design. Nanoscale. PMID 29104978 DOI: 10.1039/c7nr06896d  0.4
2017 Trabelsi T, Kumar M, Francisco JS. Substituent effects on the spectroscopic properties of Criegee intermediates. The Journal of Chemical Physics. 147: 164303. PMID 29096470 DOI: 10.1063/1.4998170  0.8
2017 Wu Z, Xu J, Deng G, Chu X, Sokolenko L, Trabelsi T, Francisco J, Eckhardt AK, Schreiner PR, Zeng X. The Trifluoromethyl Sulfinyl and Oxathiyl Radicals. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29083511 DOI: 10.1002/chem.201705142  0.8
2017 Zhong J, Zhu C, Li L, Richmond GL, Francisco JS, Zeng XC. Interaction of SO2 with the Surface of Water Nanodroplet. Journal of the American Chemical Society. PMID 29083178 DOI: 10.1021/jacs.7b09900  0.4
2017 Liu J, Zhu C, Liu K, Jiang Y, Song Y, Francisco JS, Zeng XC, Wang J. Distinct ice patterns on solid surfaces with various wettabilities. Proceedings of the National Academy of Sciences of the United States of America. 114: 11285-11290. PMID 29073045 DOI: 10.1073/pnas.1712829114  0.4
2017 Parandaman A, Tangtartharakul CB, Kumar M, Francisco JS, Sinha A. A Computational Study Investigating the Energetics and Kinetics of the HNCO + (CH3)2NH Reaction Catalyzed by a Single Water Molecule. The Journal of Physical Chemistry. A. PMID 29035060 DOI: 10.1021/acs.jpca.7b08657  0.6
2017 Trabelsi T, Kumar M, Francisco JS. How Does the Central Atom Substitution Impact the Properties of Criegee Intermediate? Insights from Multi-Reference Calculations. Journal of the American Chemical Society. PMID 29023119 DOI: 10.1021/jacs.7b08412  0.8
2017 Fortenberry RC, Francisco JS, Lee TJ. Quantum Chemical Rovibrational Analysis of the HOSO Radical. The Journal of Physical Chemistry. A. PMID 28972756 DOI: 10.1021/acs.jpca.7b08121  1
2017 Kumar M, Zhong J, Francisco JS, Zeng XC. Criegee intermediate-hydrogen sulfide chemistry at the air/water interface. Chemical Science. 8: 5385-5391. PMID 28970917 DOI: 10.1039/c7sc01797a  0.4
2017 Fortenberry RC, Thackston R, Francisco JS, Lee TJ. Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers. The Journal of Chemical Physics. 147: 074303. PMID 28830189 DOI: 10.1063/1.4985901  1
2017 Puzzarini C, Biczysko M, Peterson KA, Francisco JS, Linguerri R. Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification. The Journal of Chemical Physics. 147: 024302. PMID 28711038 DOI: 10.1063/1.4990437  0.52
2017 Wu Z, Xu J, Liu Q, Dong X, Li D, Holzmann N, Frenking G, Trabelsi T, Francisco JS, Zeng X. The hypothiocyanite radical OSCN and its isomers. Physical Chemistry Chemical Physics : Pccp. PMID 28621378 DOI: 10.1039/c7cp02774e  0.8
2017 Kumar M, Anglada JM, Francisco JS. Role of Proton Tunneling and Metal Free Organocatalysis in Decomposition of Methanediol: A Theoretical Study. The Journal of Physical Chemistry. A. PMID 28513154 DOI: 10.1021/acs.jpca.7b01864  0.64
2017 Zhong J, Kumar M, Zhu CQ, Francisco JS, Zeng XC. Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces. Angewandte Chemie (International Ed. in English). PMID 28471069 DOI: 10.1002/anie.201702722  0.4
2017 Wu S, Zhu C, He Z, Xue H, Fan Q, Song Y, Francisco JS, Zeng XC, Wang J. Ion-specific ice recrystallization provides a facile approach for the fabrication of porous materials. Nature Communications. 8: 15154. PMID 28462937 DOI: 10.1038/ncomms15154  0.4
2017 Anglada JM, Crehuet R, Martins-Costa M, Francisco JS, Ruiz-López M. The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor. Physical Chemistry Chemical Physics : Pccp. PMID 28453016 DOI: 10.1039/c7cp01976a  0.64
2017 Linguerri R, Puzzarini C, Al Mogren MM, Francisco JS, Hochlaf M. Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO. The Journal of Chemical Physics. 146: 144303. PMID 28411610 DOI: 10.1063/1.4979573  0.52
2017 Nomura K, Kaneko T, Bai J, Francisco JS, Yasuoka K, Zeng XC. Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube. Proceedings of the National Academy of Sciences of the United States of America. PMID 28373562 DOI: 10.1073/pnas.1701609114  0.4
2017 Zha XH, Zhou J, Luo K, Lang J, Huang Q, Zhou X, Francisco J, He J, Du S. Controllable magnitude and anisotropy of the electrical conductivity of Hf3C2O2 MXene. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28234238 DOI: 10.1088/1361-648X/aa62da  1
2017 Ayari T, Hochlaf M, Mogren Al-Mogren M, Francisco JS. Characterization of the electronic states of the biological relevant SSNO molecule. The Journal of Chemical Physics. 146: 074301. PMID 28228028 DOI: 10.1063/1.4975989  0.48
2017 Finney B, Thanthiriwatte KS, Francisco JS, Dixon DA. Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers. The Journal of Physical Chemistry. A. PMID 28195479 DOI: 10.1021/acs.jpca.6b12673  0.36
2017 Wu Z, Liu Q, Xu J, Sun H, Li D, Song C, Andrada DM, Frenking G, Trabelsi T, Francisco JS, Zeng X. Heterocumulene Sulfinyl Radical OCNSO. Angewandte Chemie (International Ed. in English). PMID 28074625 DOI: 10.1002/anie.201611576  0.8
2017 Zhu C, Kais S, Zeng XC, Francisco JS, Gladich I. Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface. Journal of the American Chemical Society. 139: 27-30. PMID 28073251 DOI: 10.1021/jacs.6b10208  0.6
2017 Perez JE, Kumar M, Francisco JS, Sinha A. Oxygenate-Induced Tuning of Aldehyde-Amine Reactivity and its Atmospheric Implications. The Journal of Physical Chemistry. A. PMID 28071913 DOI: 10.1021/acs.jpca.6b10845  0.6
2016 Zhu C, Gao Y, Zhong J, Huang Y, Francisco JS, Zeng XC. Communication: Interaction of BrO radical with the surface of water. The Journal of Chemical Physics. 145: 241102. PMID 28049321 DOI: 10.1063/1.4973242  0.4
2016 Chen Z, Lau KC, Garcia GA, Nahon L, Božanić DK, Poisson L, Al-Mogren MM, Schwell M, Francisco JS, Bellili A, Hochlaf M. Identifying Cytosine-Specific Isomers via High-Accuracy Single Photon Ionization. Journal of the American Chemical Society. PMID 27992194 DOI: 10.1021/jacs.6b10413  0.48
2016 Finney B, Mitrushchenkov AO, Francisco JS, Peterson KA. Ab initio ro-vibronic spectroscopy of the Π2 PCS radical and Σ+1PCS(-) anion. The Journal of Chemical Physics. 145: 224303. PMID 27984883 DOI: 10.1063/1.4971183  0.52
2016 Zhao W, Francisco JS, Zeng XC. CO Separation from H2 via Hydrate Formation in Single-Walled Carbon Nanotubes. The Journal of Physical Chemistry Letters. 7: 4911-4915. PMID 27934039 DOI: 10.1021/acs.jpclett.6b02443  0.4
2016 Anglada JM, Crehuet R, Francisco JS. The Stability of α-Hydroperoxyalkyl Radicals. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27808436 DOI: 10.1002/chem.201604499  0.64
2016 Zhu C, Gao Y, Li H, Meng S, Li L, Francisco JS, Zeng XC. Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network. Proceedings of the National Academy of Sciences of the United States of America. PMID 27803319 DOI: 10.1073/pnas.1616138113  0.4
2016 Finney B, Fortenberry RC, Francisco JS, Peterson KA. A spectroscopic case for SPSi detection: The third-row in a single molecule. The Journal of Chemical Physics. 145: 124311. PMID 27782681 DOI: 10.1063/1.4963337  1
2016 Lin C, Finney BA, Laufer AH, Anglada JM, Francisco JS. Spectroscopic characterization of the ethyl radical-water complex. The Journal of Chemical Physics. 145: 144301. PMID 27782533 DOI: 10.1063/1.4963869  1
2016 Fortenberry RC, Lee TJ, Francisco JS. Quantum Chemical Analysis of the CO-HNN+ Proton-Bound Complex. The Journal of Physical Chemistry. A. PMID 27643412 DOI: 10.1021/acs.jpca.6b07515  1
2016 Trabelsi T, Ben Yaghlane S, Al Mogren MM, Francisco JS, Hochlaf M. HNS(+) and HSN(+) cations: Electronic states, spin-rovibronic spectroscopy with planetary and biological implications. The Journal of Chemical Physics. 145: 084307. PMID 27586922 DOI: 10.1063/1.4961313  0.8
2016 Deng G, Wu Z, Li D, Linguerri R, Francisco JS, Zeng X. The Simplest N-Sulfonylamine HNSO2. Journal of the American Chemical Society. PMID 27575523 DOI: 10.1021/jacs.6b07966  1
2016 Zhu C, Kumar M, Zhong J, Li L, Francisco JS, Zeng XC. New Mechanistic Pathways for the Criegee-Water Chemistry at the Air/Water Interface. Journal of the American Chemical Society. PMID 27509207 DOI: 10.1021/jacs.6b04338  1
2016 Ayari T, Jaidane NE, Al Mogren MM, Francisco JS, Hochlaf M. Toward the laboratory identification of [O,N,S,S] isomers: Implications for biological NO chemistry. The Journal of Chemical Physics. 144: 234316. PMID 27334171 DOI: 10.1063/1.4954062  0.48
2016 Zha XH, Huang Q, He J, He H, Zhai J, Francisco JS, Du S. The thermal and electrical properties of the promising semiconductor MXene Hf2CO2. Scientific Reports. 6: 27971. PMID 27302597 DOI: 10.1038/srep27971  1
2016 Hoehn RD, Carignano MA, Kais S, Zhu C, Zhong J, Zeng XC, Francisco JS, Gladich I. Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface. The Journal of Chemical Physics. 144: 214701. PMID 27276960 DOI: 10.1063/1.4950951  0.6
2016 Hoehn RD, Yeole SD, Kais S, Francisco JS. Analytic ab initio-based molecular interaction potential for the BrO⋅H2O complex. The Journal of Chemical Physics. 144: 204121. PMID 27250293 DOI: 10.1063/1.4950956  0.6
2016 Kumar M, Sinha A, Francisco JS. Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry. Accounts of Chemical Research. PMID 27074637 DOI: 10.1021/acs.accounts.6b00040  0.6
2016 He R, Li L, Zhong J, Zhu C, Francisco JS, Zeng XC. Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations. Proceedings of the National Academy of Sciences of the United States of America. PMID 27071120 DOI: 10.1073/pnas.1601651113  1
2016 Green MC, Dubnicka LJ, Davis AC, Rypkema HA, Francisco JS, Slipchenko LV. Thermodynamics and Kinetics for the Free Radical Oxygen Protein Oxidation Pathway in a Model for β-structured Peptides. The Journal of Physical Chemistry. A. PMID 27055125 DOI: 10.1021/acs.jpca.5b12549  1
2016 Zha XH, Zhou J, Zhou Y, Huang Q, He J, Francisco JS, Luo K, Du S. Promising electron mobility and high thermal conductivity in Sc2CT2 (T = F, OH) MXenes. Nanoscale. PMID 26932122 DOI: 10.1039/c5nr08639f  1
2016 Linguerri R, Puzzarini C, Francisco JS. Structure and spectroscopic properties of low-lying states of the HOC(O)O radical. The Journal of Chemical Physics. 144: 084306. PMID 26931701 DOI: 10.1063/1.4942196  0.52
2016 Finney B, Fang Z, Francisco JS, Dixon DA. Energetic Properties and Electronic Structure of [Si,N,S] and [Si,P,S] Isomers. The Journal of Physical Chemistry. A. PMID 26914520 DOI: 10.1021/acs.jpca.6b00918  1
2016 Lu N, Chung WC, Ley RM, Lin KY, Francisco JS, Negishi EI. Molecularly Tuning the Radicaloid N-H…O=C Hydrogen Bond. The Journal of Physical Chemistry. A. PMID 26855203 DOI: 10.1021/acs.jpca.6b00144  1
2016 Li L, Kumar M, Zhu C, Zhong J, Francisco JS, Zeng XC. Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton Transfer Mechanism on the Surface of Water. Journal of the American Chemical Society. PMID 26811124 DOI: 10.1021/jacs.5b13048  1
2016 Francisco JS, Kumar M. H2S-Induced CO2 Activation via Metal Free Dual Catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26781129 DOI: 10.1002/chem.201504953  1
2015 Francisco JS. International Scientific Collaborations: A Key to Scientific Success. Angewandte Chemie (International Ed. in English). 54: 14984-5. PMID 26768340 DOI: 10.1002/anie.201505267  1
2015 Wu Z, Li D, Li H, Zhu B, Sun H, Francisco JS, Zeng X. Gas-Phase Generation and Decomposition of a Sulfinylnitrene into the Iminyl Radical OSN. Angewandte Chemie (International Ed. in English). PMID 26680542 DOI: 10.1002/anie.201510105  1
2015 Fortenberry RC, Francisco JS. Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO(-) and OSN(.). The Journal of Chemical Physics. 143: 184301. PMID 26567656 DOI: 10.1063/1.4935056  1
2015 Love-Nkansah CB, Tan L, Francisco JS, Xia Y. Gas-Phase Unimolecular Dissociation Reveals Dominant Base Property of Protonated Homocysteine Sulfinyl Radical Ions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26531146 DOI: 10.1002/chem.201502642  1
2015 Yu Q, Bowman JM, Fortenberry RC, Mancini JS, Lee TJ, Crawford TD, Klemperer W, Francisco JS. The Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN(.) The Journal of Physical Chemistry. A. PMID 26529262 DOI: 10.1021/acs.jpca.5b09682  1
2015 Trabelsi T, Yazidi O, Francisco JS, Linguerri R, Hochlaf M. Electronic structure of NSO(-) and SNO(-) anions: Stability, electron affinity, and spectroscopic properties. The Journal of Chemical Physics. 143: 164301. PMID 26520507 DOI: 10.1063/1.4933115  1
2015 Trabelsi T, Linguerri R, Ben Yaghlane S, Jaidane NE, Mogren Al-Mogren M, Francisco JS, Hochlaf M. On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media. The Journal of Chemical Physics. 143: 134301. PMID 26450308 DOI: 10.1063/1.4932084  1
2015 Louie MK, Francisco JS, Verdicchio M, Klippenstein SJ, Sinha A. Dimethylamine Addition to Formaldehyde Catalyzed by a Single Water Molecule: A Facile Route for Atmospheric Carbinolamine Formation and Potential Promoter of Aerosol Growth. The Journal of Physical Chemistry. A. PMID 26406105 DOI: 10.1021/acs.jpca.5b04887  1
2015 Xu Y, Bai X, Zha X, Huang Q, He J, Luo K, Zhou Y, Germann TC, Francisco JS, Du S. New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies. The Journal of Chemical Physics. 143: 114707. PMID 26395728 DOI: 10.1063/1.4931398  1
2015 Zhu B, Zeng X, Beckers H, Francisco JS, Willner H. Frontispiece: The Methylsulfonyloxyl Radical, CH3 SO3. Angewandte Chemie (International Ed. in English). 54. PMID 26382096 DOI: 10.1002/anie.201583961  0.32
2015 Fortenberry RC, Francisco JS. Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues. The Journal of Chemical Physics. 143: 084308. PMID 26328844 DOI: 10.1063/1.4929472  1
2015 Zhong J, Zhao Y, Li L, Li H, Francisco JS, Zeng XC. Interaction of the NH2 Radical with the Surface of a Water Droplet. Journal of the American Chemical Society. 137: 12070-8. PMID 26325351 DOI: 10.1021/jacs.5b07354  1
2015 Fortenberry RC, Yu Q, Mancini JS, Bowman JM, Lee TJ, Crawford TD, Klemperer WF, Francisco JS. Communication: Spectroscopic consequences of proton delocalization in OCHCO(.). The Journal of Chemical Physics. 143: 071102. PMID 26298107 DOI: 10.1063/1.4929345  1
2015 Li H, Francisco JS, Zeng XC. Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels. Proceedings of the National Academy of Sciences of the United States of America. 112: 10851-6. PMID 26283377 DOI: 10.1073/pnas.1513718112  1
2015 Li H, Wu Z, Li D, Zeng X, Beckers H, Francisco JS. A Singlet Thiophosphoryl Nitrene and Its Interconversion with Thiazyl and Thionitroso Isomers. Journal of the American Chemical Society. PMID 26275526 DOI: 10.1021/jacs.5b07302  1
2015 Zhu B, Zeng X, Beckers H, Francisco JS, Willner H. The Methylsulfonyloxyl Radical, CH3 SO3. Angewandte Chemie (International Ed. in English). PMID 26248797 DOI: 10.1002/anie.201503776  1
2015 Trabelsi T, Ajili Y, Ben Yaghlane S, Jaidane NE, Mogren Al-Mogren M, Francisco JS, Hochlaf M. Characterization and reactivity of the weakly bound complexes of the [H, N, S](-) anionic system with astrophysical and biological implications. The Journal of Chemical Physics. 143: 034303. PMID 26203023 DOI: 10.1063/1.4926941  0.8
2015 Rypkema HA, Sinha A, Francisco JS. Carboxylic Acid catalyzed hydration of acetaldehyde. The Journal of Physical Chemistry. A. 119: 4581-8. PMID 25734508 DOI: 10.1021/jp510704j  1
2015 Anglada JM, Martins-Costa M, Francisco JS, Ruiz-López MF. Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes. Accounts of Chemical Research. 48: 575-83. PMID 25688469 DOI: 10.1021/ar500412p  1
2015 Gladich I, Francisco JS, Buszek RJ, Vazdar M, Carignano MA, Shepson PB. Ab initio study of the reaction of ozone with bromide ion. The Journal of Physical Chemistry. A. 119: 4482-8. PMID 25642913 DOI: 10.1021/jp5101279  1
2015 Louie MK, Francisco JS, Verdicchio M, Klippenstein SJ, Sinha A. Hydrolysis of ketene catalyzed by formic Acid: modification of reaction mechanism, energetics, and kinetics with organic Acid catalysis. The Journal of Physical Chemistry. A. 119: 4347-57. PMID 25590617 DOI: 10.1021/jp5076725  1
2015 Luo K, Deng Q, Zha X, Huang Q, Francisco JS, Yu X, Qiao Y, He J, Du S. Electronic structures and mechanical properties of Al(111)/ZrB2(0001) heterojunctions from first-principles calculation Molecular Physics. DOI: 10.1080/00268976.2015.1014441  1
2015 Trabelsi T, Ajili Y, Ben Yaghlane S, Jaidane NE, Mogren Al-Mogren M, Francisco JS, Hochlaf M. Characterization and reactivity of the weakly bound complexes of the [H, N, S]- anionic system with astrophysical and biological implications Journal of Chemical Physics. 143. DOI: 10.1063/1.4926941  1
2015 Zhao WH, Bai J, Wang L, Yuan LF, Yang J, Francisco JS, Zeng XC. Formation of bilayer clathrate hydrates Journal of Materials Chemistry A. 3: 5547-5555. DOI: 10.1039/c4ta06857b  1
2015 Khan MAH, Cooke MC, Utembe SR, Archibald AT, Derwent RG, Jenkin ME, Morris WC, South N, Hansen JC, Francisco JS, Percival CJ, Shallcross DE. Global analysis of peroxy radicals and peroxy radical-water complexation using the STOCHEM-CRI global chemistry and transport model Atmospheric Environment. 106: 278-287. DOI: 10.1016/j.atmosenv.2015.02.020  1
2014 Peterson KA, Francisco JS. An ab initio investigation of the ground and low-lying singlet and triplet electronic states of XNO2 and XONO (X = Cl, Br, and I). The Journal of Chemical Physics. 140: 044308. PMID 25669524 DOI: 10.1063/1.4861852  1
2014 Tan L, Ture?ek F, Francisco JS, Xia Y. Probing the radical and base dual properties of peptide sulfinyl radicals via mass spectrometry. The Journal of Physical Chemistry. A. 118: 11828-35. PMID 25428214 DOI: 10.1021/jp510362p  1
2014 Stringfellow HM, Jones MR, Green MC, Wilson AK, Francisco JS. Selectivity in ROS-induced peptide backbone bond cleavage. The Journal of Physical Chemistry. A. 118: 11399-404. PMID 25369550 DOI: 10.1021/jp508877m  1
2014 Davis AC, Francisco JS. Hydroxyalkoxy radicals: importance of intramolecular hydrogen bonding on chain branching reactions in the combustion and atmospheric decomposition of hydrocarbons. The Journal of Physical Chemistry. A. 118: 10982-1001. PMID 25347001 DOI: 10.1021/jp506436g  1
2014 Hoffman GJ, Gurunathan PK, Francisco JS, Slipchenko LV. Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study. The Journal of Chemical Physics. 141: 104315. PMID 25217924 DOI: 10.1063/1.4894772  1
2014 Anglada JM, Martins-Costa M, Ruiz-López MF, Francisco JS. Spectroscopic signatures of ozone at the air-water interface and photochemistry implications. Proceedings of the National Academy of Sciences of the United States of America. 111: 11618-23. PMID 25071195 DOI: 10.1073/pnas.1411727111  1
2014 Méndez M, Francisco JS, Dixon DA. Thermodynamic properties of the isomers of [HNOS], [HNO2 S], and [HNOS2 ] and the role of the central sulfur. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 10231-5. PMID 25043524 DOI: 10.1002/chem.201404076  1
2014 Yu X, Zhu J, Du S, Xu H, Vogel SC, Han J, Germann TC, Zhang J, Jin C, Francisco JS, Zhao Y. Crystal structure and encapsulation dynamics of ice II-structured neon hydrate. Proceedings of the National Academy of Sciences of the United States of America. 111: 10456-61. PMID 25002464 DOI: 10.1073/pnas.1410690111  1
2014 Ben Yaghlane S, Jaidane NE, Cotton CE, Francisco JS, Al Mogren MM, Linguerri R, Hochlaf M. Theoretical spectroscopic investigations of HNS(q) and HSN(q) (q = 0, +1, -1) in the gas phase. The Journal of Chemical Physics. 140: 244309. PMID 24985640 DOI: 10.1063/1.4883915  1
2014 Zhu J, Du S, Yu X, Zhang J, Xu H, Vogel SC, Germann TC, Francisco JS, Izumi F, Momma K, Kawamura Y, Jin C, Zhao Y. Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate. Nature Communications. 5: 4128. PMID 24936712 DOI: 10.1038/ncomms5128  1
2014 Zhao W, Wang L, Bai J, Francisco JS, Zeng XC. Spontaneous formation of one-dimensional hydrogen gas hydrate in carbon nanotubes. Journal of the American Chemical Society. 136: 10661-8. PMID 24885238 DOI: 10.1021/ja5041539  1
2014 Hazra MK, Francisco JS, Sinha A. Hydrolysis of glyoxal in water-restricted environments: formation of organic aerosol precursors through formic acid catalysis. The Journal of Physical Chemistry. A. 118: 4095-105. PMID 24831426 DOI: 10.1021/jp502126m  1
2014 Tan L, Hu H, Francisco JS, Xia Y. A mass spectrometric approach for probing the stability of bioorganic radicals. Angewandte Chemie (International Ed. in English). 53: 1887-90. PMID 24446129 DOI: 10.1002/anie.201310480  1
2014 Abbiche K, Marakchi K, Komiha N, Francisco JS, Linguerri R, Hochlaf M. Accurate theoretical spectroscopy of the lowest electronic states of CP radical Molecular Physics. 112: 2633-2645. DOI: 10.1080/00268976.2014.901567  1
2014 Boxe CS, Francisco JS, Shia RL, Yung YL, Nair H, Liang MC, Saiz-Lopez A. New insights into martian atmospheric chemistry Icarus. 242: 97-104. DOI: 10.1016/j.icarus.2014.07.023  1
2013 Hochlaf M, Linguerri R, Francisco JS. On the role of the simplest S-nitrosothiol, HSNO, in atmospheric and biological processes. The Journal of Chemical Physics. 139: 234304. PMID 24359364 DOI: 10.1063/1.4840495  1
2013 Rypkema HA, Francisco JS. Atmospheric oxidation of peroxyacetic acid. The Journal of Physical Chemistry. A. 117: 14151-62. PMID 24279867 DOI: 10.1021/jp409773j  1
2013 Ben Yaghlane S, Cotton CE, Francisco JS, Linguerri R, Hochlaf M. Ab initio structural and spectroscopic study of HPS(x) and HSP(x) (x = 0,+1,-1) in the gas phase. The Journal of Chemical Physics. 139: 174313. PMID 24206304 DOI: 10.1063/1.4827520  1
2013 Anglada JM, Hoffman GJ, Slipchenko LV, Costa MM, Ruiz-López MF, Francisco JS. Atmospheric significance of water clusters and ozone-water complexes. The Journal of Physical Chemistry. A. 117: 10381-96. PMID 24028451 DOI: 10.1021/jp407282c  1
2013 Lu N, Ley RM, Cotton CE, Chung WC, Francisco JS, Negishi E. Molecular tuning of the closed shell C-H···F-C hydrogen bond. The Journal of Physical Chemistry. A. 117: 8256-62. PMID 23909861 DOI: 10.1021/jp404791g  1
2013 Eric Cotton C, Francisco JS, Klemperer W. Computational study of the linear proton bound ion-molecule complexes of HCNH+ with HCN and HNC. The Journal of Chemical Physics. 139: 014304. PMID 23822300 DOI: 10.1063/1.4811834  1
2013 Hazra MK, Francisco JS, Sinha A. Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis. The Journal of Physical Chemistry. A. 117: 11704-10. PMID 23614454 DOI: 10.1021/jp4008043  1
2013 Love CB, Tan L, Francisco JS, Xia Y. Competition of charge- versus radical-directed fragmentation of gas-phase protonated cysteine sulfinyl radicals. Journal of the American Chemical Society. 135: 6226-33. PMID 23527556 DOI: 10.1021/ja4008744  1
2013 Yazidi O, Houria AB, Francisco JS, Hochlaf M. Electronic states, conical intersections, and spin-rovibronic spectroscopy of the nitrogen oxide sulfide radical. The Journal of Chemical Physics. 138: 104318. PMID 23514500 DOI: 10.1063/1.4794313  1
2013 Cotton CE, Francisco JS, Mitrushchenkov AO. Structural and spectroscopic study of the linear proton-bound complex of PN with HNP+. The Journal of Chemical Physics. 138: 074314. PMID 23445016 DOI: 10.1063/1.4790604  1
2013 Green MC, Fedorov DG, Kitaura K, Francisco JS, Slipchenko LV. Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides. The Journal of Chemical Physics. 138: 074111. PMID 23445001 DOI: 10.1063/1.4790616  1
2013 Delcey MG, Lindh R, Linguerri R, Hochlaf M, Francisco JS. Communication: theoretical prediction of the structure and spectroscopic properties of the X̃ and à states of hydroxymethyl peroxy (HOCH2OO) radical. The Journal of Chemical Physics. 138: 021105. PMID 23320661 DOI: 10.1063/1.4775782  1
2013 Green MC, Stelzleni S, Francisco JS. Spectral marker for Cα damage in beta peptides. The Journal of Physical Chemistry. A. 117: 550-65. PMID 23301948 DOI: 10.1021/jp304240e  1
2013 Huang X, Fortenberry RC, Wang Y, Francisco JS, Crawford TD, Bowman JM, Lee TJ. Dipole surface and infrared intensities for the cis- and trans-HOCO and DOCO radicals. The Journal of Physical Chemistry. A. 117: 6932-9. PMID 23199284 DOI: 10.1021/jp3102546  1
2012 Linguerri R, Francisco JS. Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex. The Journal of Chemical Physics. 137: 214312. PMID 23231236 DOI: 10.1063/1.4769284  1
2012 Torrent-Sucarrat M, Francisco JS, Anglada JM. Sulfuric acid as autocatalyst in the formation of sulfuric acid. Journal of the American Chemical Society. 134: 20632-44. PMID 23198746 DOI: 10.1021/ja307523b  1
2012 Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Fundamental vibrational frequencies and spectroscopic constants of HOCS+, HSCO+, and isotopologues via quartic force fields. The Journal of Physical Chemistry. A. 116: 9582-90. PMID 22950849 DOI: 10.1021/jp3073206  1
2012 Hazra MK, Francisco JS, Sinha A. Computational study of hydrogen-bonded complexes of HOCO with acids: HOCO⋯HCOOH, HOCO⋯H2SO4, and HOCO⋯H2CO3. The Journal of Chemical Physics. 137: 064319. PMID 22897285 DOI: 10.1063/1.4742817  1
2012 Davis AC, Tangprasertchai N, Francisco JS. Hydrogen migrations in alkylcycloalkyl radicals: implications for chain-branching reactions in fuels. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 11296-305. PMID 22829453 DOI: 10.1002/chem.201103517  1
2012 Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+. The Journal of Chemical Physics. 136: 234309. PMID 22779595 DOI: 10.1063/1.4729309  1
2012 Hochlaf M, Linguerri R, Dalal SS, Francisco JS. Theoretical study of the spectroscopically relevant parameters for the detection of HNP(q) and HPN(q) (q = 0, +1, -1) in the gas phase. The Journal of Chemical Physics. 136: 244311. PMID 22755578 DOI: 10.1063/1.4730299  1
2012 Ben Yaghlane S, Francisco JS, Hochlaf M. Accurate theoretical study of PS(q) (q = 0,+1,-1) in the gas phase. The Journal of Chemical Physics. 136: 244309. PMID 22755576 DOI: 10.1063/1.4730303  1
2012 Martins-Costa MT, Anglada JM, Francisco JS, Ruiz-Lopez MF. Reactivity of volatile organic compounds at the surface of a water droplet. Journal of the American Chemical Society. 134: 11821-7. PMID 22726102 DOI: 10.1021/ja304971e  1
2012 Vereecken L, Francisco JS. Theoretical studies of atmospheric reaction mechanisms in the troposphere. Chemical Society Reviews. 41: 6259-93. PMID 22660412 DOI: 10.1039/c2cs35070j  1
2012 Cotton CE, Francisco JS, Linguerri R, Mitrushchenkov AO. Structural and spectroscopic study of the van der Waals complex of CO with HCO+ and the isoelectronic complex of CS with HCS+. The Journal of Chemical Physics. 136: 184307. PMID 22583287 DOI: 10.1063/1.4707336  1
2012 Buszek RJ, Barker JR, Francisco JS. Water effect on the OH + HCl reaction. The Journal of Physical Chemistry. A. 116: 4712-9. PMID 22563978 DOI: 10.1021/jp3025107  1
2012 Buszek RJ, Torrent-Sucarrat M, Anglada JM, Francisco JS. Effects of a single water molecule on the OH + H2O2 reaction. The Journal of Physical Chemistry. A. 116: 5821-9. PMID 22455374 DOI: 10.1021/jp2077825  1
2012 Martins-Costa MT, Anglada JM, Francisco JS, Ruiz-Lopez MF. Reactivity of atmospherically relevant small radicals at the air-water interface. Angewandte Chemie (International Ed. in English). 51: 5413-7. PMID 22438206 DOI: 10.1002/anie.201200656  1
2012 Zeng X, Beckers H, Willner H, Francisco JS. Experimental observation of the 16-electron molecules SPN, SNP, and cyclic PSN. Angewandte Chemie (International Ed. in English). 51: 3334-9. PMID 22267121 DOI: 10.1002/anie.201108636  1
2012 Davis AC, Francisco JS. Ab initio study of chain branching reactions involving second generation products in hydrocarbon combustion mechanisms. Physical Chemistry Chemical Physics : Pccp. 14: 1343-51. PMID 22048707 DOI: 10.1039/c1cp22602a  1
2012 Kokkila SI, Bera PP, Francisco JS, Lee TJ. A group increment scheme for infrared absorption intensities of greenhouse gases Journal of Molecular Structure. 1009: 89-95. DOI: 10.1016/j.molstruc.2011.11.048  1
2011 Clark J, Kumbhani S, Hansen JC, Francisco JS. HNO3-NHx, H2SO4-NHx, CH(O)OH-NHx, and CH3C(O)OH-NHx complexes and their role in the formation of condensation nuclei. The Journal of Chemical Physics. 135: 244305. PMID 22225154 DOI: 10.1063/1.3664302  1
2011 Wu CC, Lin HC, Chang YB, Tsai PY, Yeh YY, Fan H, Lin KC, Francisco JS. Br2 molecular elimination in photolysis of (COBr)2 at 248 nm by using cavity ring-down absorption spectroscopy: a photodissociation channel being ignored. The Journal of Chemical Physics. 135: 234308. PMID 22191876 DOI: 10.1063/1.3664782  1
2011 Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion. The Journal of Chemical Physics. 135: 214303. PMID 22149788 DOI: 10.1063/1.3663615  1
2011 Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants. The Journal of Chemical Physics. 135: 134301. PMID 21992299 DOI: 10.1063/1.3643336  1
2011 Davis AC, Francisco JS. Reactivity trends within alkoxy radical reactions responsible for chain branching. Journal of the American Chemical Society. 133: 18208-19. PMID 21955032 DOI: 10.1021/ja204806b  1
2011 Davis AC, Francisco JS. Ab initio study of key branching reactions in biodiesel and Fischer-Tropsch fuels. Journal of the American Chemical Society. 133: 19110-24. PMID 21805995 DOI: 10.1021/ja205516s  1
2011 Du S, Germann TC, Francisco JS, Peterson KA, Yu HG, Lyons JR. The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism. The Journal of Chemical Physics. 134: 154508. PMID 21513396 DOI: 10.1063/1.3572226  1
2011 Torrent-Sucarrat M, Ruiz-Lopez MF, Martins-Costa M, Francisco JS, Anglada JM. Protonation of water clusters induced by hydroperoxyl radical surface adsorption. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 5076-85. PMID 21433120 DOI: 10.1002/chem.201002706  1
2011 Davis AC, Francisco JS. Ab initio study of hydrogen migration across n-alkyl radicals. The Journal of Physical Chemistry. A. 115: 2966-77. PMID 21413772 DOI: 10.1021/jp110142h  1
2011 Peterson KA, Francisco JS. Ab initio spectroscopic characterization of the HNNO and ONHN radicals. The Journal of Chemical Physics. 134: 084308. PMID 21361540 DOI: 10.1063/1.3556990  1
2011 Gonzalez J, Anglada JM, Buszek RJ, Francisco JS. Impact of water on the OH + HOCl reaction. Journal of the American Chemical Society. 133: 3345-53. PMID 21319861 DOI: 10.1021/ja100976b  1
2011 Buszek RJ, Sinha A, Francisco JS. The isomerization of methoxy radical: intramolecular hydrogen atom transfer mediated through acid catalysis. Journal of the American Chemical Society. 133: 2013-5. PMID 21275425 DOI: 10.1021/ja1039874  1
2011 Wuebbles DJ, Patten KO, Wang D, Youn D, Martínez-Avilés M, Francisco JS. Three-dimensional model evaluation of the Ozone Depletion Potentials for n-propyl bromide, trichloroethylene and perchloroethylene Atmospheric Chemistry and Physics. 11: 2371-2380. DOI: 10.5194/acp-11-2371-2011  1
2011 Francisco JS. A new frontier in atmospheric chemistry: Computational atmospheric chemistry Computational and Theoretical Chemistry. 965: 248. DOI: 10.1016/j.comptc.2011.03.001  1
2011 Buszek RJ, Francisco JS, Anglada JM. Water effects on atmospheric reactions International Reviews in Physical Chemistry. 30: 335-369.  1
2010 Francisco JS, Muckerman JT, Yu HG. HOCO radical chemistry. Accounts of Chemical Research. 43: 1519-26. PMID 20929216 DOI: 10.1021/ar100087v  1
2010 Davis AC, Francisco JS. Ab initio study of hydrogen migration in 1-alkylperoxy radicals. The Journal of Physical Chemistry. A. 114: 11492-505. PMID 20883006 DOI: 10.1021/jp1042393  1
2010 Christiansen CJ, Francisco JS. Atmospheric oxidation of trichloroethylene: an ab initio study. The Journal of Physical Chemistry. A. 114: 9163-76. PMID 20687539 DOI: 10.1021/jp103769z  1
2010 Christiansen CJ, Francisco JS. Atmospheric oxidation of tetrachloroethylene: an ab initio study. The Journal of Physical Chemistry. A. 114: 9177-91. PMID 20669984 DOI: 10.1021/jp103845h  1
2010 Bera PP, Francisco JS, Lee TJ. Design strategies to minimize the radiative efficiency of global warming molecules. Proceedings of the National Academy of Sciences of the United States of America. 107: 9049-54. PMID 20439762 DOI: 10.1073/pnas.0913590107  1
2010 Doan HQ, Davis AC, Francisco JS. Primary steps in the reaction of OH radicals with peptide systems: perspective from a study of model amides. The Journal of Physical Chemistry. A. 114: 5342-57. PMID 20369811 DOI: 10.1021/jp100375c  1
2010 Grant DJ, Garner EB, Matus MH, Nguyen MT, Peterson KA, Francisco JS, Dixon DA. Thermodynamic properties of the XO(2), X(2)O, XYO, X(2)O(2), and XYO(2) (X, Y = Cl, Br, and I) isomers. The Journal of Physical Chemistry. A. 114: 4254-65. PMID 20187618 DOI: 10.1021/jp911320p  1
2010 Christiansen CJ, Dalal SS, Francisco JS, Mebel AM, Gaffney JS. Hydroxyl radical substitution in halogenated carbonyls: oxalic acid formation. The Journal of Physical Chemistry. A. 114: 2806-20. PMID 20131850 DOI: 10.1021/jp9045116  1
2010 Soloveichik P, O'Donnell BA, Lester MI, Francisco JS, McCoy AB. Infrared spectrum and stability of the H2O-HO complex: experiment and theory. The Journal of Physical Chemistry. A. 114: 1529-38. PMID 19831340 DOI: 10.1021/jp907885d  1
2010 Bera PP, Francisco JS, Lee TJ. Reply to Wallington et al.: Differences in electronic structure of global warming molecules lead to different molecular properties Proceedings of the National Academy of Sciences of the United States of America. 107: E180. DOI: 10.1073/pnas.1008576107  1
2009 Yu HG, Francisco JS. Ab initio and RRKM study of the reaction of ClO with HOCO radicals. The Journal of Physical Chemistry. A. 113: 12932-41. PMID 19831339 DOI: 10.1021/jp9040088  1
2009 Eisfeld W, Francisco JS. Structure, spectroscopic properties, and photochemistry of the hydroxymethoxy radical. The Journal of Chemical Physics. 131: 134313. PMID 19814559 DOI: 10.1063/1.3231145  1
2009 Du S, Francisco JS, Schenter GK, Garrett BC. Interaction of ClO radical with liquid water. Journal of the American Chemical Society. 131: 14778-85. PMID 19788303 DOI: 10.1021/ja9033186  1
2009 Grant DJ, Dixon DA, Francisco JS, Feller D, Peterson KA. Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations. The Journal of Physical Chemistry. A. 113: 11343-53. PMID 19780577 DOI: 10.1021/jp905847e  1
2009 Bera PP, Francisco JS, Lee TJ. Identifying the molecular origin of global warming. The Journal of Physical Chemistry. A. 113: 12694-9. PMID 19694447 DOI: 10.1021/jp905097g  1
2009 Du S, Francisco JS. OH.N2 and SH.N2 radical-molecule van der Waals complex. The Journal of Chemical Physics. 131: 064307. PMID 19691388 DOI: 10.1063/1.3204980  1
2009 Liessmann M, Hansmann B, Blachly PG, Francisco JS, Abel B. Primary steps in the reaction of OH radicals with amino acids at low temperatures in Laval nozzle expansions: perspectives from experiment and theory. The Journal of Physical Chemistry. A. 113: 7570-5. PMID 19552478 DOI: 10.1021/jp9015596  1
2009 Francisco JS, Eisfeld W. Atmospheric oxidation mechanism of hydroxymethyl hydroperoxide. The Journal of Physical Chemistry. A. 113: 7593-600. PMID 19453156 DOI: 10.1021/jp901735z  1
2009 Buszek RJ, Francisco JS. The gas-phase decomposition of CF(3)OH with water: a radical-catalyzed mechanism. The Journal of Physical Chemistry. A. 113: 5333-7. PMID 19348491 DOI: 10.1021/jp900642q  1
2009 Du S, Francisco JS, Kais S. Study of electronic structure and dynamics of interacting free radicals influenced by water. The Journal of Chemical Physics. 130: 124312. PMID 19334835 DOI: 10.1063/1.3100549  1
2009 Poggi G, Francisco JS. An ab initio study of the reaction of HOCO radicals with NO2: addition/elimination mechanism. The Journal of Chemical Physics. 130: 124306. PMID 19334829 DOI: 10.1063/1.3095757  1
2009 Du S, Francisco JS. Spectroscopic properties and stability of the SH x H2O open shell complex. The Journal of Chemical Physics. 130: 124304. PMID 19334827 DOI: 10.1063/1.3089869  1
2009 Franz J, Francisco JS, Peyerimhoff SD. Production of singlet oxygen atoms by photodissociation of oxywater. The Journal of Chemical Physics. 130: 084304. PMID 19256608 DOI: 10.1063/1.3080808  1
2009 Christiansen CJ, Francisco JS. Atmospheric oxidation mechanism of 1,2-dibromoethane. The Journal of Physical Chemistry. A. 113: 7189-204. PMID 19117383 DOI: 10.1021/jp807966p  1
2009 Yu HG, Francisco JS. Theoretical study of the reaction of CH 3 with HOCO radicals Journal of Physical Chemistry A. 113: 3844-3849. DOI: 10.1021/jp809730j  1
2008 Yu HG, Poggi G, Francisco JS, Muckerman JT. Energetics and molecular dynamics of the reaction of HOCO with HO(2) radicals. The Journal of Chemical Physics. 129: 214307. PMID 19063561 DOI: 10.1063/1.3028052  1
2008 Matthews J, Martínez-Avilés M, Francisco JS, Sinha A. Probing OH stretching overtones of CH3OOH through action spectroscopy: Influence of dipole moment dependence on HOOC torsion. The Journal of Chemical Physics. 129: 074316. PMID 19044776 DOI: 10.1063/1.2967185  1
2008 Matus MH, Nguyen MT, Dixon DA, Peterson KA, Francisco JS. ClClO2 is the most stable isomer of Cl2O2. Accurate coupled cluster energetics and electronic spectra of Cl2O2 isomers. The Journal of Physical Chemistry. A. 112: 9623-7. PMID 18778040 DOI: 10.1021/jp806220r  1
2008 Yu HG, Francisco JS, Muckerman JT. Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO. The Journal of Chemical Physics. 129: 064301. PMID 18715063 DOI: 10.1063/1.2965523  1
2008 O'Donnell BA, Li EX, Lester MI, Francisco JS. Spectroscopic identification and stability of the intermediate in the OH + HONO2 reaction. Proceedings of the National Academy of Sciences of the United States of America. 105: 12678-83. PMID 18678905 DOI: 10.1073/pnas.0800320105  1
2008 Martínez-Avilés M, Rosado-Reyes CM, Francisco JS. Hydroxyl-radical-initiated oxidation mechanism of bromopropane. The Journal of Physical Chemistry. A. 112: 7930-8. PMID 18666763 DOI: 10.1021/jp8034506  1
2008 Ravelo RM, Francisco JS. Proton affinity of methyl nitrite and methyl peroxynitrite: implications for measuring branching ratios of alkyl nitrates and nitrites. Journal of the American Chemical Society. 130: 11234-9. PMID 18661999 DOI: 10.1021/ja8045662  1
2008 Yu HG, Francisco JS. Energetics and kinetics of the reaction of HOCO with hydrogen atoms. The Journal of Chemical Physics. 128: 244315. PMID 18601340 DOI: 10.1063/1.2946696  1
2008 Du S, Francisco JS, Shepler BC, Peterson KA. Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations. The Journal of Chemical Physics. 128: 204306. PMID 18513018 DOI: 10.1063/1.2919569  1
2008 Eisfeld W, Francisco JS. Excited states and photodissociation of hydroxymethyl hydroperoxide. The Journal of Chemical Physics. 128: 174304. PMID 18465919 DOI: 10.1063/1.2909547  1
2008 Du S, Francisco JS. Interaction between OH radical and the water interface. The Journal of Physical Chemistry. A. 112: 4826-35. PMID 18454512 DOI: 10.1021/jp710509h  1
2008 Grant DJ, Dixon DA, Kemeny AE, Francisco JS. Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations. The Journal of Chemical Physics. 128: 164305. PMID 18447437 DOI: 10.1063/1.2902983  1
2008 Grant DJ, Matus MH, Switzer JR, Dixon DA, Francisco JS, Christe KO. Bond dissociation energies in second-row compounds. The Journal of Physical Chemistry. A. 112: 3145-56. PMID 18351757 DOI: 10.1021/jp710373e  1
2008 Du S, Francisco JS, Schenter GK, Garrett BC. Many-body decomposition of the binding energies for OH.(H2O)2 and OH.(H2O)3 complexes. The Journal of Chemical Physics. 128: 084307. PMID 18315046 DOI: 10.1063/1.2828522  1
2008 Clark J, English AM, Hansen JC, Francisco JS. Computational study on the existence of organic peroxy radical-water complexes (RO2.H2O). The Journal of Physical Chemistry. A. 112: 1587-95. PMID 18225871 DOI: 10.1021/jp077266d  1
2008 Harkless JA, Francisco JS. Bond dissocation and conformational energetics of tetrasulfur: a quantum Monte Carlo study. The Journal of Physical Chemistry. A. 112: 2088-92. PMID 18217731 DOI: 10.1021/jp076376h  1
2008 Ravelo RM, Francisco JS. Proton affinity of methyl peroxynitrate. The Journal of Physical Chemistry. A. 112: 1981-5. PMID 18076148 DOI: 10.1021/jp0744578  1
2008 Martnez-Avils M, Yang S, Francisco JS. Structure and vibrational spectra of bromine reservoir species from the atmospheric oxidations of bromoethane and bromopropane Molecular Physics. 106: 299-314. DOI: 10.1080/00268970701798929  1
2008 Rosado-Reyes CM, Martínez-Avilés M, Francisco JS. Chapter 11 Computational Study of the Reaction of n-Bromopropane with OH Radicals and Cl Atoms Advances in Quantum Chemistry. 55: 215-244. DOI: 10.1016/S0065-3276(07)00211-0  1
2008 Peterson KA, Mitrushchenkov A, Francisco JS. A theoretical study of the spectroscopic properties of the ground and first excited electronic state of HS2 Chemical Physics. 346: 34-44. DOI: 10.1016/j.chemphys.2008.02.042  1
2008 Francisco JS. Chemistry in a global economy - An education agenda Journal of Chemical Education. 85: 1338.  1
2007 Matus MH, Dixon DA, Peterson KA, Harkless JA, Francisco JS. Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4. The Journal of Chemical Physics. 127: 174305. PMID 17994816 DOI: 10.1063/1.2774973  1
2007 Hernández-Soto H, Weinhold F, Francisco JS. Radical hydrogen bonding: origin of stability of radical-molecule complexes. The Journal of Chemical Physics. 127: 164102. PMID 17979314 DOI: 10.1063/1.2784558  1
2007 Martínez-Avilés M, Rosado-Reyes CM, Francisco JS. Atmospheric oxidation mechanism of bromoethane. The Journal of Physical Chemistry. A. 111: 11652-60. PMID 17941615 DOI: 10.1021/jp073862w  1
2007 Yu HG, Muckerman JT, Francisco JS. Quantum force molecular dynamics study of the reaction of O atoms with HOCO. The Journal of Chemical Physics. 127: 094302. PMID 17824734 DOI: 10.1063/1.2770463  1
2007 Irikura KK, Francisco JS. Competition between hydrogen abstraction and halogen displacement in the reaction of Br with CH3I, CH3Br, and CH3Cl. The Journal of Physical Chemistry. A. 111: 6852-9. PMID 17580833 DOI: 10.1021/jp071314c  1
2007 Francisco JS. Sulfur atom exchange in the reaction of SH radicals with S atoms. The Journal of Chemical Physics. 126: 214301. PMID 17567190 DOI: 10.1063/1.2735299  1
2007 Grant DJ, Dixon DA, Francisco JS. Coupled cluster study of the energetic properties of S2x (x=0,+1,1). The Journal of Chemical Physics. 126: 144308. PMID 17444713 DOI: 10.1063/1.2715580  1
2007 Beckers H, Garcia P, Willner H, Argüello GA, Cobos CJ, Francisco JS. Side-on versus end-on bonding of O2 to the FSO3 radical: matrix isolation and ab initio study of FSO5. Angewandte Chemie (International Ed. in English). 46: 3754-7. PMID 17431931 DOI: 10.1002/anie.200604346  1
2007 Du S, Francisco JS, Schenter GK, Garrett BC. Ab initio and analytical intermolecular potential for ClO-H2O. The Journal of Chemical Physics. 126: 114304. PMID 17381203 DOI: 10.1063/1.2566537  1
2007 Vöhringer-Martinez E, Hansmann B, Hernandez-Soto H, Hernandez H, Francisco JS, Troe J, Abel B. Water catalysis of a radical-molecule gas-phase reaction. Science (New York, N.Y.). 315: 497-501. PMID 17255507 DOI: 10.1126/science.1134494  1
2007 Guha S, Francisco JS. An AB initio study of the structures, vibrational spectra, and energetics of AlSHX (X = -1, 0, +1) Astrophysical Journal. 671: 2159-2163. DOI: 10.1086/522883  1
2007 Rosado-Reyes CM, Francisco JS. Atmospheric oxidation pathways of propane and its by-products: Acetone, acetaldehyde, and propionaldehyde Journal of Geophysical Research Atmospheres. 112. DOI: 10.1029/2006JD007566  1
2007 Poggi G, Francisco JS. Hydrogen atom abstraction from HOOOCl by chlorine atom and OH radical Inorganica Chimica Acta. 360: 837-841. DOI: 10.1016/j.ica.2006.05.048  1
2007 Casey CP, Francisco JS, Masciangioli TM. The future of U.S. chemistry research: Benchmarks and challenges Journal of Chemical Education. 84: 1089.  1
2006 Greene JR, Francisco JS, Xu D, Huang J, Jackson WM. Photodissociation dynamics of CBr4 at 267 nm by means of ion velocity imaging. The Journal of Chemical Physics. 125: 133311. PMID 17029464 DOI: 10.1063/1.2213260  0.36
2006 Watts JD, Francisco JS. Ground and electronically excited states of methyl hydroperoxide: comparison with hydrogen peroxide. The Journal of Chemical Physics. 125: 104301. PMID 16999520 DOI: 10.1063/1.2338039  1
2006 Peterson KA, Lyons JR, Francisco JS. An ab initio study of the low-lying electronic states of S3. The Journal of Chemical Physics. 125: 084314. PMID 16965019 DOI: 10.1063/1.2222367  1
2006 Du S, Francisco JS, Schenter GK, Iordanov TD, Garrett BC, Dupuis M, Li J. The OH radical-H2O molecular interaction potential. The Journal of Chemical Physics. 124: 224318. PMID 16784285 DOI: 10.1063/1.2200701  1
2006 Christensen LE, Okumura M, Hansen JC, Sander SP, Francisco JS. Experimental and ab initio study of the HO2.CH3OH complex: thermodynamics and kinetics of formation. The Journal of Physical Chemistry. A. 110: 6948-59. PMID 16722709 DOI: 10.1021/jp056579a  1
2006 Rosado-Reyes CM, Francisco JS. Atmospheric oxidation pathways of acetic acid. The Journal of Physical Chemistry. A. 110: 4419-33. PMID 16571046 DOI: 10.1021/jp0567974  1
2006 Francisco JS. Ab initio study of the structure, bonding, vibrational spectra, and energetics of XBS+ (where X=H, F, and Cl). The Journal of Chemical Physics. 124: 114303. PMID 16555884 DOI: 10.1063/1.2176607  1
2006 Francisco JS, Crowley JN. Theoretical investigation of product channels in the CH3O2 + Br reaction. The Journal of Physical Chemistry. A. 110: 3778-84. PMID 16526662 DOI: 10.1021/jp056794r  1
2006 Dixon DA, Francisco JS, Alexeev Y. Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory. The Journal of Physical Chemistry. A. 110: 185-91. PMID 16392854 DOI: 10.1021/jp054642q  1
2006 Plane JM, Joseph DM, Allan BJ, Ashworth SH, Francisco JS. An experimental and theoretical study of the reactions OIO+NO and OIO+OH. The Journal of Physical Chemistry. A. 110: 93-100. PMID 16392844 DOI: 10.1021/jp055364y  1
2005 Schnell M, Francisco JS, Peyerimhoff SD. MRD-CI study of the photodissociative behavior of HOOOCl, a molecule relevant to atmospheric chemistry. Physical Chemistry Chemical Physics : Pccp. 7: 1912-7. PMID 19787892 DOI: 10.1039/b501433f  1
2005 Yu HG, Muckerman JT, Francisco JS. Direct ab initio dynamics study of the OH + HOCO reaction. The Journal of Physical Chemistry. A. 109: 5230-6. PMID 16833880 DOI: 10.1021/jp051458w  1
2005 von Ahsen S, Francisco JS. Spectroscopic evidence for the existence of the CF3OSO3 radical. The Journal of Physical Chemistry. A. 109: 9193-5. PMID 16833257 DOI: 10.1021/jp054956d  1
2005 Shi Q, Kais S, Francisco JS. Graph theory for fused cubic clusters of water dodecamer. The Journal of Physical Chemistry. A. 109: 12036-45. PMID 16366659 DOI: 10.1021/jp0550154  1
2005 Rosado-Reyes CM, Francisco JS, Szente JJ, Maricq MM, Frøsig Østergaard L. Dimethyl ether oxidation at elevated temperatures (295-600 K). The Journal of Physical Chemistry. A. 109: 10940-53. PMID 16331938 DOI: 10.1021/jp054223t  1
2005 Li Y, Francisco JS. An ab initio molecular orbital study of the mechanism for the gas-phase water-mediated decomposition and the formation of hydrates of peroxyacetyl nitrate (PAN). Journal of the American Chemical Society. 127: 12144-6. PMID 16117557 DOI: 10.1021/ja053916k  1
2005 Francisco JS, Lyons JR, Williams IH. High-level ab initio studies of the structure, vibrational spectra, and energetics of S3. The Journal of Chemical Physics. 123: 054302. PMID 16108634 DOI: 10.1063/1.1979474  1
2005 Goebbert DJ, Hernandez H, Francisco JS, Wenthold PG. The binding energy and bonding in dialane. Journal of the American Chemical Society. 127: 11684-9. PMID 16104745 DOI: 10.1021/ja0424070  1
2005 Matthews J, Sinha A, Francisco JS. Unimolecular dissociation and thermochemistry of CH3OOH. The Journal of Chemical Physics. 122: 221101. PMID 15974643 DOI: 10.1063/1.1928228  1
2005 Matthews J, Sinha A, Francisco JS. The importance of weak absorption features in promoting tropospheric radical production. Proceedings of the National Academy of Sciences of the United States of America. 102: 7449-52. PMID 15890778 DOI: 10.1073/pnas.0502687102  1
2005 Whitney ES, Zolot AM, McCoy AB, Francisco JS, Nesbitt DJ. Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. The Journal of Chemical Physics. 122: 124310. PMID 15836381 DOI: 10.1063/1.1868553  1
2005 McCoy AB, Fry JL, Francisco JS, Mollner AK, Okumura M. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO. The Journal of Chemical Physics. 122: 104311. PMID 15836319 DOI: 10.1063/1.1859273  1
2005 Suitte BP, Belair SD, Francisco JS. Spectroscopic characterization of the five possible orientations of a hydrogen-bonded pair of water molecules within the cubic water octamer framework Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/PhysRevA.71.043204  1
2005 Belair SD, Francisco JS, Singer SJ. Hydrogen bonding in cubic (H 2O) 8 and OH·(H 2O) 7 clusters Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/PhysRevA.71.013204  1
2005 Francisco JS. The role of vibrations in the conformational identification of water cluster landscapes Acs National Meeting Book of Abstracts. 230.  1
2004 García P, Willner H, Oberhammer H, Francisco JS. The matrix-isolated molecular complexes CO/XF (X=Cl,Br,I) and the molecular structure of FC(O)Br. The Journal of Chemical Physics. 121: 11900-6. PMID 15634151 DOI: 10.1063/1.1814634  1
2004 Kronberg M, von Ahsen S, Willner H, Francisco JS. The SF5Ox radicals, x=0-3. Angewandte Chemie (International Ed. in English). 44: 253-7. PMID 15614927 DOI: 10.1002/anie.200461235  1
2004 Santiano RL, Francisco JS. Protonation study of peroxynitric acid and peroxynitrous acid. The Journal of Chemical Physics. 121: 9498-509. PMID 15538871 DOI: 10.1063/1.1784779  1
2004 Francisco JS, Li Y. Ab initio study of the electronic spectrum of peroxyacetyl nitrate. The Journal of Chemical Physics. 121: 6298-301. PMID 15446924 DOI: 10.1063/1.1786581  1
2004 Greene JR, Francisco JS, Huang J, Xu D, Jackson WM. Photodissociation studies of CBr(4) (+) and CBr(3) (+) at 267 nm using ion velocity imaging. The Journal of Chemical Physics. 121: 5868-73. PMID 15367014 DOI: 10.1063/1.1786926  0.36
2004 Matthews J, Sinha A, Francisco JS. High level ab initio study of the structure and vibrational spectra of HO(2)NO(2). The Journal of Chemical Physics. 121: 5720-7. PMID 15366995 DOI: 10.1063/1.1783131  0.6
2004 Peterson KA, Francisco JS. Does chlorine peroxide absorb below 250 nm? The Journal of Chemical Physics. 121: 2611-6. PMID 15281859 DOI: 10.1063/1.1766012  1
2004 Matthews J, Sinha A, Francisco JS. Relative vibrational overtone intensity of cis-cis and trans-perp peroxynitrous acid. The Journal of Chemical Physics. 120: 10543-53. PMID 15268081 DOI: 10.1063/1.1738105  0.6
2004 Fry JL, Nizkorodov SA, Okumura M, Roehl CM, Francisco JS, Wennberg PO. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics. The Journal of Chemical Physics. 121: 1432-48. PMID 15260688 DOI: 10.1063/1.1760714  1
2004 Belair SD, Hernandez H, Francisco JS. The origin of sticking between a hydroperoxy radical and a water surface. Journal of the American Chemical Society. 126: 3024-5. PMID 15012112 DOI: 10.1021/ja030604d  1
2004 Watts JD, Francisco JS. Coupled-cluster studies of HOONO+: Additional conformers of the 2A"ON+ - OOH complex and a comparison of restricted and unrestricted open-shell hartree-fock coupled-cluster results International Journal of Quantum Chemistry. 100: 764-770. DOI: 10.1002/qua.20242  1
2003 Parthiban S, Lee TJ, Guha S, Francisco JS. Theoretical study of chlorine nitrates: implications for stratospheric chlorine chemistry. Journal of the American Chemical Society. 125: 10446-58. PMID 12926970 DOI: 10.1021/ja010297g  1
2002 Hansen JC, Francisco JS. Radical-molecule complexes: changing our perspective on the molecular mechanisms of radical-molecule reactions and their impact on atmospheric chemistry. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 3: 833-40. PMID 12465180 DOI: 10.1002/1439-7641(20021018)3:10<833::AID-CPHC833>3.0.CO;2-0  1
2001 Liu Q, Schurter LM, Muller CE, Aloisio S, Francisco JS, Margerum DW. Kinetics and mechanisms of aqueous ozone reactions with bromide, sulfite, hydrogen sulfite, iodide, and nitrite ions Inorganic Chemistry. 40: 4436-4442. PMID 11487352 DOI: 10.1021/ic000919j  1
2000 Aloisio S, Francisco JS. Radical-water complexes in Earth's atmosphere. Accounts of Chemical Research. 33: 825-30. PMID 11123881 DOI: 10.1021/ar000097u  1
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