Joel M. Bowman - Publications

Affiliations: 
Chemistry Emory University, Atlanta, GA 
Area:
Physical Chemistry, Atmospheric Chemistry

275 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 Yu Q, Carpenter WB, Lewis NHC, Tokmakoff A, Bowman JM. High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton. The Journal of Physical Chemistry. B. PMID 31361141 DOI: 10.1021/acs.jpcb.9b05723  0.48
2019 Qu C, Bowman JM. A fragmented, permutationally invariant polynomial approach for potential energy surfaces of large molecules: Application to N-methyl acetamide. The Journal of Chemical Physics. 150: 141101. PMID 30981221 DOI: 10.1063/1.5092794  0.6
2019 Nandi A, Qu C, Bowman JM. Using Gradients in Permutationally Invariant Polynomial Potential fitting: A Demonstration for CH4 Using as Few as 100 Configurations. Journal of Chemical Theory and Computation. PMID 30896950 DOI: 10.1021/acs.jctc.9b00043  0.6
2019 Yu Q, Bowman JM. Classical, Thermostatted Ring Polymer, and Quantum VSCF/VCI Calculations of IR Spectra of HO and HO (Eigen) and Comparison With Experiment. The Journal of Physical Chemistry. A. PMID 30657683 DOI: 10.1021/acs.jpca.8b11603  0.48
2018 Qu C, Bowman JM. Assessing the Importance of the H(HO) 3-Body Interaction on the Vibrational Frequency Shift of H in the sII Clathrate Hydrate and Comparison with Experiment. The Journal of Physical Chemistry. A. PMID 30525619 DOI: 10.1021/acs.jpca.8b11675  0.6
2018 Qu C, Bowman JM. Quantum approaches to vibrational dynamics and spectroscopy: is ease of interpretation sacrificed as rigor increases? Physical Chemistry Chemical Physics : Pccp. PMID 30398247 DOI: 10.1039/c8cp04990d  0.6
2018 Duong CH, Yang N, Kelleher PJ, Johnson MA, DiRisio RJ, McCoy AB, Yu Q, Bowman JM, Henderson BV, Jordan KD. Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled HO Cation with Two-Color, IR-IR Double Resonance: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core. The Journal of Physical Chemistry. A. PMID 30351101 DOI: 10.1021/acs.jpca.8b08507  0.52
2018 Nandi A, Qu C, Bowman JM. Diffusion Monte Carlo Calculations of Zero-Point Energies of Methanol and Deuterated Methanol. Journal of Computational Chemistry. PMID 30284291 DOI: 10.1002/jcc.25601  0.6
2018 Houston PL, Van Hoozen BL, Qu C, Yu Q, Bowman JM. Teaching vibrational spectra to assign themselves. Faraday Discussions. PMID 30259026 DOI: 10.1039/c8fd00075a  0.6
2018 Qu C, Bowman JM. Quantum and classical IR spectra of (HCOOH), (DCOOH) and (DCOOD) using ab initio potential energy and dipole moment surfaces. Faraday Discussions. PMID 30246203 DOI: 10.1039/c8fd00077h  0.6
2018 Heindel JP, Yu Q, Bowman JM, Xantheas SS. Benchmark electronic structure calculations for H3O+(H2O)n, n=0-5 clusters and tests of an existing 1,2,3-body potential energy surface with a new 4-body correction. Journal of Chemical Theory and Computation. PMID 30103598 DOI: 10.1021/acs.jctc.8b00598  0.48
2018 Qu C, Bowman JM. High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrum. The Journal of Chemical Physics. 148: 241713. PMID 29960304 DOI: 10.1063/1.5017495  0.6
2018 Qu C, Yu Q, Van Hoozen BL, Bowman JM, Vargas-Hernandez RA. Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches to Represent High-Dimensional Potential Energy Surfaces. Journal of Chemical Theory and Computation. PMID 29847723 DOI: 10.1021/acs.jctc.8b00298  0.6
2018 Qu C, Bowman JM. IR Spectra of (HCOOH) and (DCOOH): Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces. The Journal of Physical Chemistry Letters. 2604-2610. PMID 29709189 DOI: 10.1021/acs.jpclett.8b00447  0.6
2018 Qu C, Yu Q, Bowman JM. Permutationally Invariant Potential Energy Surfaces. Annual Review of Physical Chemistry. PMID 29401038 DOI: 10.1146/annurev-physchem-050317-021139  0.6
2018 Yang B, Zhang P, Qu C, Wang X, Stancil P, Bowman JM, Balakrishnan N, McLaughlin BM, Forrey RC. Full-Dimensional Quantum Dynamics of SiO in Collision with H2. The Journal of Physical Chemistry. A. PMID 29365271 DOI: 10.1021/acs.jpca.7b09762  0.6
2018 Esser TK, Knorke H, Asmis KR, Schöllkopf W, Yu Q, Qu C, Bowman JM, Kaledin M. Deconstructing Prominent Bands in the Terahertz Spectra of H7O3+ and H9O4+: Intermolecular Modes in Eigen Clusters. The Journal of Physical Chemistry Letters. PMID 29360366 DOI: 10.1021/acs.jpclett.7b03395  0.6
2017 Bowman JM, Houston PL. Theories and simulations of roaming. Chemical Society Reviews. PMID 28979955 DOI: 10.1039/c7cs00578d  0.44
2017 Yu Q, Bowman JM. High-level quantum calculations of the IR spectra of the Eigen, Zundel and Ring isomers of H+(H2O)4 find a single match to experiment. Journal of the American Chemical Society. PMID 28756669 DOI: 10.1021/jacs.7b05459  0.48
2017 Duong CH, Gorlova O, Yang N, Kelleher PJ, Yu Q, McCoy AB, Bowman JM, Johnson MA. Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H(+)(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory. The Journal of Physical Chemistry Letters. PMID 28737922 DOI: 10.1021/acs.jpclett.7b01599  0.52
2017 Houston PL, Wang X, Ghosh A, Bowman JM, Quinn MS, Kable SH. Formaldehyde roaming dynamics: Comparison of quasi-classical trajectory calculations and experiments. The Journal of Chemical Physics. 147: 013936. PMID 28688379 DOI: 10.1063/1.4982823  0.48
2017 Yu Q, Bowman JM. Communication: VSCF/VCI vibrational spectroscopy of H7O3(+) and H9O4(+) using high-level, many-body potential energy surface and dipole moment surfaces. The Journal of Chemical Physics. 146: 121102. PMID 28388101 DOI: 10.1063/1.4979601  0.48
2017 Wang X, Houston PL, Bowman JM. A new (multi-reference configuration interaction) potential energy surface for H2CO and preliminary studies of roaming. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 375. PMID 28320899 DOI: 10.1098/rsta.2016.0194  0.48
2017 Carter S, Wang Y, Bowman JM. The Rovibrational Spectra of Trans- and Cis- HOCO, Calculated by MULTIMODE with Ab Initio Potential Energy and Dipole Moment Surfaces. The Journal of Physical Chemistry. A. PMID 28157298 DOI: 10.1021/acs.jpca.6b13013  0.8
2016 Yu Q, Bowman JM. How the Zundel (H5O2(+)) Potential Can Be Used to Predict the Proton Stretch and Bend Frequencies of Larger Protonated Water Clusters. The Journal of Physical Chemistry Letters. 7: 5259-5265. PMID 27973907 DOI: 10.1021/acs.jpclett.6b02561  0.48
2016 Qu C, Bowman JM. An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces. Physical Chemistry Chemical Physics : Pccp. 18: 24835-24840. PMID 27722444 DOI: 10.1039/c6cp03073d  0.6
2016 Yu Q, Bowman JM. Ab initio potential for H3O+ --> H+ + H2O: A step to a many-body representation of the hydrated proton? Journal of Chemical Theory and Computation. PMID 27673756 DOI: 10.1021/acs.jctc.6b00765  0.48
2016 Li H, Kidwell NM, Wang X, Bowman JM, Lester MI. Velocity map imaging of OH radical products from IR activated (CH3)2COO Criegee intermediates. The Journal of Chemical Physics. 145: 104307. PMID 27634260 DOI: 10.1063/1.4962361  0.48
2016 Wang Y, Bowman JM. Calculations of the IR spectra of bend fundamentals of (H2O)n=3,4,5 using the WHBB_2 potential and dipole moment surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 27523256 DOI: 10.1039/c6cp04329a  0.8
2016 Wang X, Bowman JM. Two Pathways for Dissociation of Highly Energized syn-CH3CHOO to OH plus vinoxy. The Journal of Physical Chemistry Letters. PMID 27513186 DOI: 10.1021/acs.jpclett.6b01392  0.48
2016 De Marco L, Carpenter W, Liu H, Biswas R, Bowman JM, Tokmakoff A. Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water. The Journal of Physical Chemistry Letters. PMID 27115316 DOI: 10.1021/acs.jpclett.6b00668  0.32
2016 Kidwell NM, Li H, Wang X, Bowman JM, Lester MI. Unimolecular dissociation dynamics of vibrationally activated CH3CHOO Criegee intermediates to OH radical products. Nature Chemistry. 8: 509-14. PMID 27102686 DOI: 10.1038/nchem.2488  1
2016 Wang Y, Bowman JM, Kamarchik E. Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions. The Journal of Chemical Physics. 144: 114311. PMID 27004880 DOI: 10.1063/1.4943580  1
2016 Lucas M, Song Y, Zhang J, Brazier C, Houston PL, Bowman JM. Ultraviolet Photodissociation Dynamics of the 1-Propenyl Radical. The Journal of Physical Chemistry. A. PMID 26963771 DOI: 10.1021/acs.jpca.6b01056  0.44
2016 Liu H, Wang Y, Bowman JM. The Quantum Local Monomer IR Spectrum of Liquid D2O at 300 K from 0 to 4000 cm(-1) is in Near Quantitative Agreement with Experiment. The Journal of Physical Chemistry. B. PMID 26906967 DOI: 10.1021/acs.jpcb.6b01722  1
2016 Houston PL, Conte R, Bowman JM. Roaming Under the Microscope: Trajectory Study of Formaldehyde Dissociation. The Journal of Physical Chemistry. A. PMID 26885745 DOI: 10.1021/acs.jpca.6b00488  1
2016 Qu C, Bowman JM. Revisiting Adiabatic Switching for Initial Conditions in Quasi-Classical Trajectory Calculations: Application to CH4. The Journal of Physical Chemistry. A. PMID 26881845 DOI: 10.1021/acs.jpca.5b12701  1
2016 Samanta AK, Wang Y, Mancini JS, Bowman JM, Reisler H. Energetics and Predissociation Dynamics of Small Water, HCl, and Mixed HCl-Water Clusters. Chemical Reviews. PMID 26840554 DOI: 10.1021/acs.chemrev.5b00506  1
2015 Conte R, Qu C, Bowman JM. Permutationally Invariant Fitting of Many-Body, Non-covalent Interactions with Application to Three-Body Methane-Water-Water. Journal of Chemical Theory and Computation. 11: 1631-8. PMID 26574372 DOI: 10.1021/acs.jctc.5b00091  1
2015 Wang X, Carter S, Bowman JM. Pruning the Hamiltonian Matrix in MULTIMODE: Test for C2H4 and Application to CH3NO2 Using a New Ab Initio Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 26529348 DOI: 10.1021/acs.jpca.5b09816  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 Liu H, Wang Y, Bowman JM. A Transferable Ab Initio Dipole Moment for Water: Three Applications to Bulk Water. The Journal of Physical Chemistry. B. PMID 26436449 DOI: 10.1021/acs.jpcb.5b09213  1
2015 Balucani N, Leonori F, Casavecchia P, Fu B, Bowman JM. Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O((3)P) + Ethylene Reaction at High Collision Energy. The Journal of Physical Chemistry. A. PMID 26413909 DOI: 10.1021/acs.jpca.5b07979  1
2015 Homayoon Z, Conte R, Qu C, Bowman JM. Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates. The Journal of Chemical Physics. 143: 084302. PMID 26328838 DOI: 10.1063/1.4929338  1
2015 Conte R, Houston PL, Bowman JM. Trajectory and Model Studies of Collisions of Highly Excited Methane with Water Using an ab Initio Potential. The Journal of Physical Chemistry. A. PMID 26299678 DOI: 10.1021/acs.jpca.5b06595  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 Fernando R, Qu C, Bowman JM, Field RW, Suits AG. Does Infrared Multiphoton Dissociation of Vinyl Chloride Yield Cold Vinylidene? The Journal of Physical Chemistry Letters. 6: 2457-62. PMID 26266719 DOI: 10.1021/acs.jpclett.5b01031  1
2015 Wang Y, Bowman JM. Bend Excitation Is Predicted to Greatly Accelerate Isomerization of trans-Hydroxymethylene to Formaldehyde in the Deep Tunneling Region. The Journal of Physical Chemistry Letters. 6: 124-128. PMID 26263100 DOI: 10.1021/jz5022944  1
2015 Bowman JM, Wang Y, Liu H, Mancini JS. Ab Initio Quantum Approaches to the IR Spectroscopy of Water and Hydrates. The Journal of Physical Chemistry Letters. 6: 366-373. PMID 26261949 DOI: 10.1021/jz502196f  1
2015 Liu H, Wang Y, Bowman JM. Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment. The Journal of Chemical Physics. 142: 194502. PMID 26001464 DOI: 10.1063/1.4921045  1
2015 Lin HY, Huang YH, Wang X, Bowman JM, Nishimura Y, Witek HA, Lee YP. Infrared identification of the Criegee intermediates syn- and anti-CH₃CHOO, and their distinct conformation-dependent reactivity. Nature Communications. 6: 7012. PMID 25959902 DOI: 10.1038/ncomms8012  1
2015 Houston PL, Conte R, Bowman JM. A model for energy transfer in collisions of atoms with highly excited molecules. The Journal of Physical Chemistry. A. 119: 4695-710. PMID 25907301 DOI: 10.1021/acs.jpca.5b00219  1
2015 Qu C, Conte R, Houston PL, Bowman JM. "Plug and play" full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH4-H2O. Physical Chemistry Chemical Physics : Pccp. 17: 8172-81. PMID 25726765 DOI: 10.1039/c4cp05913a  1
2015 Mancini JS, Bowman JM. Isolating the spectral signature of H3O(+) in the smallest droplet of dissociated HCl acid. Physical Chemistry Chemical Physics : Pccp. 17: 6222-6. PMID 25656755 DOI: 10.1039/c4cp05685j  1
2015 Fernando R, Dey A, Broderick BM, Fu B, Homayoon Z, Bowman JM, Suits AG. Visible/Infrared Dissociation of NO3: Roaming in the Dark or Roaming on the Ground? The Journal of Physical Chemistry. A. 119: 7163-8. PMID 25407947 DOI: 10.1021/jp509902d  1
2014 Li J, Carter S, Bowman JM, Dawes R, Xie D, Guo H. High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO). The Journal of Physical Chemistry Letters. 5: 2364-9. PMID 26279560 DOI: 10.1021/jz501059m  1
2014 Mancini JS, Bowman JM. Effects of Zero-Point Delocalization on the Vibrational Frequencies of Mixed HCl and Water Clusters. The Journal of Physical Chemistry Letters. 5: 2247-53. PMID 26279542 DOI: 10.1021/jz500970h  1
2014 Homayoon Z, Bowman JM, Balucani N, Casavecchia P. Quasiclassical Trajectory Calculations of the N((2)D) + H2O Reaction Elucidating the Formation Mechanism of HNO and HON Seen in Molecular Beam Experiments. The Journal of Physical Chemistry Letters. 5: 3508-13. PMID 26278601 DOI: 10.1021/jz501757s  0.6
2014 Homayoon Z, Bowman JM, Evangelista FA. Calculations of Mode-Specific Tunneling of Double-Hydrogen Transfer in Porphycene Agree with and Illuminate Experiment. The Journal of Physical Chemistry Letters. 5: 2723-7. PMID 26277970 DOI: 10.1021/jz501482v  0.6
2014 de Oliveira-Filho AG, Ornellas FR, Bowman JM. Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K. The Journal of Physical Chemistry Letters. 5: 706-12. PMID 26270841 DOI: 10.1021/jz5000325  1
2014 de Oliveira-Filho AG, Ornellas FR, Bowman JM. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface. The Journal of Physical Chemistry. A. 118: 12080-8. PMID 25365787 DOI: 10.1021/jp509430p  1
2014 Homayoon Z, Bowman JM. Communication: MULTIMODE calculations of low-lying vibrational states of NO3 using an adiabatic potential energy surface. The Journal of Chemical Physics. 141: 161104. PMID 25362265 DOI: 10.1063/1.4900734  1
2014 Houston PL, Conte R, Bowman JM. Collisional energy transfer in highly excited molecules. The Journal of Physical Chemistry. A. 118: 7758-75. PMID 25116732 DOI: 10.1021/jp506202g  1
2014 Conte R, Houston PL, Bowman JM. Trajectory study of energy transfer and unimolecular dissociation of highly excited allyl with argon. The Journal of Physical Chemistry. A. 118: 7742-57. PMID 25116695 DOI: 10.1021/jp5062013  1
2014 Samanta AK, Czakó G, Wang Y, Mancini JS, Bowman JM, Reisler H. Experimental and theoretical investigations of energy transfer and hydrogen-bond breaking in small water and HCl clusters. Accounts of Chemical Research. 47: 2700-9. PMID 25072730 DOI: 10.1021/ar500213q  1
2014 Liu H, Wang Y, Bowman JM. Local-monomer calculations of the intramolecular IR spectra of the cage and prism isomers of HOD(D2O)5 and HOD and D2O ice Ih. The Journal of Physical Chemistry. B. 118: 14124-31. PMID 25010120 DOI: 10.1021/jp5061182  1
2014 Liu H, Wang Y, Bowman JM. Ab initio deconstruction of the vibrational relaxation pathways of dilute HOD in ice Ih. Journal of the American Chemical Society. 136: 5888-91. PMID 24717075 DOI: 10.1021/ja501986t  0.8
2014 Qu C, Bowman JM. Diffusion Monte Carlo calculations of zero-point structures of partially deuterated isotopologues of H7(+). The Journal of Physical Chemistry. B. 118: 8221-6. PMID 24660838 DOI: 10.1021/jp501371z  1
2014 Mancini JS, Samanta AK, Bowman JM, Reisler H. Experiment and theory elucidate the multichannel predissociation dynamics of the HCl trimer: breaking up is hard to do. The Journal of Physical Chemistry. A. 118: 8402-10. PMID 24559271 DOI: 10.1021/jp5015753  1
2014 Dey A, Fernando R, Abeysekera C, Homayoon Z, Bowman JM, Suits AG. Photodissociation dynamics of nitromethane and methyl nitrite by infrared multiphoton dissociation imaging with quasiclassical trajectory calculations: signatures of the roaming pathway. The Journal of Chemical Physics. 140: 054305. PMID 24511938 DOI: 10.1063/1.4862691  1
2014 Mancini JS, Bowman JM. A new many-body potential energy surface for HCl clusters and its application to anharmonic spectroscopy and vibration-vibration energy transfer in the HCl trimer. The Journal of Physical Chemistry. A. 118: 7367-74. PMID 24444294 DOI: 10.1021/jp412264t  1
2014 Smith JM, Nikow M, Ma J, Wilhelm MJ, Han YC, Sharma AR, Bowman JM, Dai HL. Chemical activation through super energy transfer collisions. Journal of the American Chemical Society. 136: 1682-5. PMID 24428264 DOI: 10.1021/ja4126966  1
2014 Wang X, Bowman JM. Mode-specific tunneling in the unimolecular dissociation of cis-HOCO to H + CO2. The Journal of Physical Chemistry. A. 118: 684-9. PMID 24405298 DOI: 10.1021/jp5000655  0.48
2014 Homayoon Z, Bowman JM. A global potential energy surface describing the N((2)D) + H2O reaction and a quasiclassical trajectory study of the reaction to NH + OH. The Journal of Physical Chemistry. A. 118: 545-53. PMID 24377745 DOI: 10.1021/jp410935k  0.6
2014 Bowman JM. Preface to special issue on computational spectroscopy. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 1. PMID 24094994 DOI: 10.1016/j.saa.2013.08.046  1
2014 Kamarchik E, Toffoli D, Christiansen O, Bowman JM. Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 59-62. PMID 23756053 DOI: 10.1016/j.saa.2013.04.076  1
2013 Wang X, Bowman JM. Zero-point Energy is Needed in Molecular Dynamics Calculations to Access the Saddle Point for H+HCN→H2CN* and cis/trans-HCNH* on a New Potential Energy Surface. Journal of Chemical Theory and Computation. 9: 901-8. PMID 26588734 DOI: 10.1021/ct301022q  0.48
2013 Fu B, Bowman JM, Xiao H, Maeda S, Morokuma K. Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces. Journal of Chemical Theory and Computation. 9: 893-900. PMID 26588733 DOI: 10.1021/ct3009792  0.36
2013 Wang Y, Bowman JM. IR Spectra of the Water Hexamer: Theory, with Inclusion of the Monomer Bend Overtone, and Experiment Are in Agreement. The Journal of Physical Chemistry Letters. 4: 1104-8. PMID 26282028 DOI: 10.1021/jz400414a  0.8
2013 Wang X, Huang X, Bowman JM, Lee TJ. Anharmonic rovibrational calculations of singlet cyclic C4 using a new ab initio potential and a quartic force field. The Journal of Chemical Physics. 139: 224302. PMID 24329063 DOI: 10.1063/1.4837177  0.8
2013 Conte R, Houston PL, Bowman JM. Classical trajectory study of energy transfer in collisions of highly excited allyl radical with argon. The Journal of Physical Chemistry. A. 117: 14028-41. PMID 24299271 DOI: 10.1021/jp410315r  1
2013 Mancini JS, Bowman JM. On-the-fly ab intito calculations of anharmonic vibrational frequencies: local-monomer theory and application to HCl clusters. The Journal of Chemical Physics. 139: 164115. PMID 24182012 DOI: 10.1063/1.4826351  0.48
2013 Wang Y, Bowman JM. Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde. The Journal of Chemical Physics. 139: 154303. PMID 24160509 DOI: 10.1063/1.4824713  0.8
2013 McKown BG, Ceriotti M, Womack CC, Kamarchik E, Butler LJ, Bowman JM. Effects of high angular momentum on the unimolecular dissociation of CD2CD2OH: theory and comparisons with experiment. The Journal of Physical Chemistry. A. 117: 10951-63. PMID 24124756 DOI: 10.1021/jp407913t  1
2013 Liu H, Wang Y, Bowman JM. Vibrational analysis of an ice Ih model from 0 to 4000 cm(-1) using the ab initio WHBB potential energy surface. The Journal of Physical Chemistry. B. 117: 10046-52. PMID 23924359 DOI: 10.1021/jp405865c  0.8
2013 Conte R, Fu B, Kamarchik E, Bowman JM. A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH∗ by H2. The Journal of Chemical Physics. 139: 044104. PMID 23901957 DOI: 10.1063/1.4816277  1
2013 Barragán P, Pérez de Tudela R, Qu C, Prosmiti R, Bowman JM. Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H7+/D7+ clusters using an ab initio potential energy surface. The Journal of Chemical Physics. 139: 024308. PMID 23862944 DOI: 10.1063/1.4812557  0.6
2013 Fu B, Zhang DH, Bowman JM. Quasiclassical trajectory studies of 18O(3P) + NO2 isotope exchange and reaction to O2 + NO on D0 and D1 potentials. The Journal of Chemical Physics. 139: 024303. PMID 23862939 DOI: 10.1063/1.4812802  0.36
2013 Czakó G, Liu R, Yang M, Bowman JM, Guo H. Quasiclassical trajectory studies of the O(3P) + CX4(vk = 0, 1) → OXv + CX3(n1n2n3n4) [X = H and D] reactions on an ab initio potential energy surface. The Journal of Physical Chemistry. A. 117: 6409-20. PMID 23808940 DOI: 10.1021/jp4038107  0.52
2013 Mann JE, Xie Z, Savee JD, Bowman JM, Continetti RE. Vibrational excitation and product branching ratios in dissociation of the isotopologs of H3O: experiment and theory. The Journal of Physical Chemistry. A. 117: 7256-66. PMID 23668439 DOI: 10.1021/jp4010949  1
2013 Mancini JS, Bowman JM. Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction. The Journal of Chemical Physics. 138: 121102. PMID 23556702 DOI: 10.1063/1.4799231  0.48
2013 Ch'ng LC, Samanta AK, Wang Y, Bowman JM, Reisler H. Experimental and theoretical investigations of the dissociation energy (D0) and dynamics of the water trimer, (H2O)3. The Journal of Physical Chemistry. A. 117: 7207-16. PMID 23536966 DOI: 10.1021/jp401155v  1
2013 Homayoon Z, Bowman JM. Quasiclassical trajectory study of CH3NO2 decomposition via roaming mediated isomerization using a global potential energy surface. The Journal of Physical Chemistry. A. 117: 11665-72. PMID 23327612 DOI: 10.1021/jp312076z  0.6
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
2013 Wang Y, Carter S, Bowman JM. Variational calculations of vibrational energies and IR spectra of trans- and cis-HOCO using new ab initio potential energy and dipole moment surfaces. The Journal of Physical Chemistry. A. 117: 9343-52. PMID 23151059 DOI: 10.1021/jp309911w  0.8
2012 Cheng TC, Jiang L, Asmis KR, Wang Y, Bowman JM, Ricks AM, Duncan MA. Mid- and Far-IR Spectra of H5(+) and D5(+) Compared to the Predictions of Anharmonic Theory. The Journal of Physical Chemistry Letters. 3: 3160-6. PMID 26296023 DOI: 10.1021/jz301276f  0.8
2012 Liu R, Yang M, Czakó G, Bowman JM, Li J, Guo H. Mode Selectivity for a "Central" Barrier Reaction: Eight-Dimensional Quantum Studies of the O((3)P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface. The Journal of Physical Chemistry Letters. 3: 3776-80. PMID 26291110 DOI: 10.1021/jz301735m  0.52
2012 Liu H, Wang Y, Bowman JM. Quantum Calculations of Intramolecular IR Spectra of Ice Models Using Ab Initio Potential and Dipole Moment Surfaces. The Journal of Physical Chemistry Letters. 3: 3671-6. PMID 26291094 DOI: 10.1021/jz3016777  0.8
2012 Zhang Z, Zhou Y, Zhang DH, Czakó G, Bowman JM. Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction. The Journal of Physical Chemistry Letters. 3: 3416-9. PMID 26290965 DOI: 10.1021/jz301649w  0.32
2012 Fu B, Han YC, Bowman JM, Leonori F, Balucani N, Angelucci L, Occhiogrosso A, Petrucci R, Casavecchia P. Experimental and theoretical studies of the O(3P) + C2H4 reaction dynamics: collision energy dependence of branching ratios and extent of intersystem crossing. The Journal of Chemical Physics. 137: 22A532. PMID 23249069 DOI: 10.1063/1.4746758  0.36
2012 Fu B, Han Y, Bowman JM. Three-state surface hopping calculations of acetaldehyde photodissociation to CH3 + HCO on ab initio potential surfaces. Faraday Discussions. 157: 27-39; discussion 11. PMID 23230762  0.36
2012 Carter S, Sharma AR, Bowman JM. First-principles calculations of rovibrational energies, dipole transition intensities and partition function for ethylene using MULTIMODE. The Journal of Chemical Physics. 137: 154301. PMID 23083159 DOI: 10.1063/1.4758005  1
2012 Ch'ng LC, Samanta AK, Czakó G, Bowman JM, Reisler H. Experimental and theoretical investigations of energy transfer and hydrogen-bond breaking in the water dimer. Journal of the American Chemical Society. 134: 15430-5. PMID 22917255 DOI: 10.1021/ja305500x  1
2012 Homayoon Z, Jambrina PG, Aoiz FJ, Bowman JM. Communication: rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H2 reaction re-visited. The Journal of Chemical Physics. 137: 021102. PMID 22803521 DOI: 10.1063/1.4734316  0.6
2012 Wang Y, Babin V, Bowman JM, Paesani F. The water hexamer: cage, prism, or both. Full dimensional quantum simulations say both. Journal of the American Chemical Society. 134: 11116-9. PMID 22731508 DOI: 10.1021/ja304528m  1
2012 Barragán P, Prosmiti R, Wang Y, Bowman JM. Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H7+ cluster. The Journal of Chemical Physics. 136: 224302. PMID 22713042 DOI: 10.1063/1.4726126  0.8
2012 Han YC, Sharma AR, Bowman JM. Quasiclassical trajectory study of fast H-atom collisions with acetylene. The Journal of Chemical Physics. 136: 214313. PMID 22697549 DOI: 10.1063/1.4728069  1
2012 Fu B, Han YC, Bowman JM, Angelucci L, Balucani N, Leonori F, Casavecchia P. Intersystem crossing and dynamics in O(3P) + C2H4 multichannel reaction: experiment validates theory. Proceedings of the National Academy of Sciences of the United States of America. 109: 9733-8. PMID 22665777 DOI: 10.1073/pnas.1202672109  0.36
2012 Li J, Xie C, Ma J, Wang Y, Dawes R, Xie D, Bowman JM, Guo H. Quasi-classical trajectory study of the HO + CO → H + CO2 reaction on a new ab initio based potential energy surface. The Journal of Physical Chemistry. A. 116: 5057-67. PMID 22574932 DOI: 10.1021/jp302278r  0.8
2012 Wang Y, Bowman JM. Coupled-monomers in molecular assemblies: theory and application to the water tetramer, pentamer, and ring hexamer. The Journal of Chemical Physics. 136: 144113. PMID 22502507 DOI: 10.1063/1.3700165  0.8
2012 Li J, Wang Y, Jiang B, Ma J, Dawes R, Xie D, Bowman JM, Guo H. Communication: a chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction. The Journal of Chemical Physics. 136: 041103. PMID 22299853 DOI: 10.1063/1.3680256  0.8
2012 Sharma AR, Bowman JM, Nesbitt DJ. Large-amplitude dynamics in vinyl radical: The role of quantum tunneling as an isomerization mechanism Journal of Chemical Physics. 136. PMID 22280758 DOI: 10.1063/1.3666987  1
2011 Czakó G, Wang Y, Bowman JM. Communication: quasiclassical trajectory calculations of correlated product-state distributions for the dissociation of (H2O)2 and (D2O)2. The Journal of Chemical Physics. 135: 151102. PMID 22029289 DOI: 10.1063/1.3655564  0.8
2011 Wang Y, Bowman JM. Communication: rigorous calculation of dissociation energies (D0) of the water trimer, (H2O)3 and (D2O)3. The Journal of Chemical Physics. 135: 131101. PMID 21992272 DOI: 10.1063/1.3647584  0.8
2011 Carter S, Sharma AR, Bowman JM. Multimode calculations of rovibrational energies and dipole transition intensities for polyatomic molecules with torsional motion: application to H2O2. The Journal of Chemical Physics. 135: 014308. PMID 21744903 DOI: 10.1063/1.3604935  1
2011 Chen C, Braams B, Lee DY, Bowman JM, Houston PL, Stranges D. The dynamics of allyl radical dissociation. The Journal of Physical Chemistry. A. 115: 6797-804. PMID 21696213 DOI: 10.1021/jp109344g  1
2011 Fu B, Shepler BC, Bowman JM. Three-state trajectory surface hopping studies of the photodissociation dynamics of formaldehyde on ab initio potential energy surfaces. Journal of the American Chemical Society. 133: 7957-68. PMID 21526775 DOI: 10.1021/ja201559r  1
2011 Wang Y, Bowman JM. Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters. The Journal of Chemical Physics. 134: 154510. PMID 21513398 DOI: 10.1063/1.3579995  0.8
2011 Kamarchik E, Wang Y, Bowman JM. Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential. The Journal of Chemical Physics. 134: 114311. PMID 21428623 DOI: 10.1063/1.3567186  1
2011 Bowman JM, Czakó G, Fu B. High-dimensional ab initio potential energy surfaces for reaction dynamics calculations. Physical Chemistry Chemical Physics : Pccp. 13: 8094-111. PMID 21399779 DOI: 10.1039/c0cp02722g  0.36
2011 Wang Y, Huang X, Shepler BC, Braams BJ, Bowman JM. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer. The Journal of Chemical Physics. 134: 094509. PMID 21384987 DOI: 10.1063/1.3554905  1
2011 Bowman JM, Shepler BC. Roaming radicals. Annual Review of Physical Chemistry. 62: 531-53. PMID 21219149 DOI: 10.1146/annurev-physchem-032210-103518  1
2011 Bowman JM, Suits AG. Roaming reactions: The third way Physics Today. 64: 33-37. DOI: 10.1063/PT.3.1330  1
2010 Xie Z, Bowman JM. Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization. Journal of Chemical Theory and Computation. 6: 26-34. PMID 26614316 DOI: 10.1021/ct9004917  1
2010 Kamarchik E, Bowman JM. Quantum vibrational analysis of hydrated ions using an ab initio potential. The Journal of Physical Chemistry. A. 114: 12945-51. PMID 21080684 DOI: 10.1021/jp108255k  1
2010 Conforti PF, Braunstein M, Braams BJ, Bowman JM. Global potential energy surfaces for O((3)P) + H2O((1)A1) collisions. The Journal of Chemical Physics. 133: 164312. PMID 21033793 DOI: 10.1063/1.3475564  1
2010 Lehman JH, Dempsey LP, Lester MI, Fu B, Kamarchik E, Bowman JM. Collisional quenching of OD A 2Σ+ by H2: experimental and theoretical studies of the state-resolved OD X 2Π product distribution and branching fraction. The Journal of Chemical Physics. 133: 164307. PMID 21033788 DOI: 10.1063/1.3487734  1
2010 Fu B, Kamarchik E, Bowman JM. Quasiclassical trajectory study of the postquenching dynamics of OH A 2Σ+ by H2/D2 on a global potential energy surface. The Journal of Chemical Physics. 133: 164306. PMID 21033787 DOI: 10.1063/1.3488167  1
2010 Mann JE, Xie Z, Savee JD, Bowman JM, Continetti RE. Dissociation dynamics of isotopologs of CH₅ studied by charge exchange of CH₅+ with Cs and quasiclassical trajectory calculations. The Journal of Physical Chemistry. A. 114: 11408-16. PMID 20942469 DOI: 10.1021/jp105119v  1
2010 Wang Y, Bowman JM, Huang X. Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface. The Journal of Chemical Physics. 133: 111103. PMID 20866118 DOI: 10.1063/1.3481579  0.8
2010 Zhang W, Zhou Y, Wu G, Lu Y, Pan H, Fu B, Shuai Q, Liu L, Liu S, Zhang L, Jiang B, Dai D, Lee SY, Xie Z, Xie Z, ... ... Bowman JM, et al. Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction. Proceedings of the National Academy of Sciences of the United States of America. 107: 12782-5. PMID 20615988 DOI: 10.1073/pnas.1006910107  1
2010 Kamarchik E, Kostko O, Bowman JM, Ahmed M, Krylov AI. Spectroscopic signatures of proton transfer dynamics in the water dimer cation. The Journal of Chemical Physics. 132: 194311. PMID 20499967 DOI: 10.1063/1.3432198  1
2010 Wang D, Xie Z, Bowman JM. Seven-degree-of-freedom, quantum scattering dynamics study of the H2D+ + H2 reaction. The Journal of Chemical Physics. 132: 084305. PMID 20192300 DOI: 10.1063/1.3329730  1
2009 Mann JE, Xie Z, Savee JD, Bowman JM, Continetti RE. Production of vibrationally excited H 2 O from charge exchange of H 3 O+ with cesium Journal of Chemical Physics. 130. PMID 19191369 DOI: 10.1063/1.3068334  1
2009 Christoffel KM, Bowman JM. Three reaction pathways in the H + HCO → H 2 + CO reaction Journal of Physical Chemistry A. 113: 4138-4144. DOI: 10.1021/jp810517e  1
2008 Acioli PH, Xie Z, Braams BJ, Bowman JM. Vibrational ground state properties of H(5)(+) and its isotopomers from diffusion Monte Carlo calculations. The Journal of Chemical Physics. 128: 104318. PMID 18345899 DOI: 10.1063/1.2838847  1
2008 Mann JE, Xie Z, Savee JD, Braams BJ, Bowman JM, Continetti RE. Probing the structure of CH5+ by dissociative charge exchange. Journal of the American Chemical Society. 130: 3730-1. PMID 18303891 DOI: 10.1021/ja0782504  1
2008 Huang X, Braams BJ, Bowman JM, Kelly RE, Tennyson J, Groenenboom GC, van der Avoird A. New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2. The Journal of Chemical Physics. 128: 034312. PMID 18205503 DOI: 10.1063/1.2822115  0.8
2008 Bowman JM. Chemistry: Beyond born-oppenheimer Science. 319: 40-41. DOI: 10.1126/science.1152504  1
2007 Bowman JM, Huang X, Handy NC, Carter S. Vibrational levels of methanol calculated by the reaction path version of MULTIMODE, using an ab initio, full-dimensional potential. The Journal of Physical Chemistry. A. 111: 7317-21. PMID 17439199 DOI: 10.1021/jp070398m  1
2007 Christoffel KM, Jin Z, Braams BJ, Bowman JM. Quasiclassical trajectory study of the CH3++HD-->CH2D++H2 Reaction. The Journal of Physical Chemistry. A. 111: 6658-64. PMID 17388348 DOI: 10.1021/jp068722l  0.76
2007 Hinkle CE, McCoy AB, Huang X, Bowman JM. Comment on "Nature of the chemical bond in protonated methane". The Journal of Physical Chemistry. A. 111: 2033-4. PMID 17311368 DOI: 10.1021/jp067486b  1
2006 Bowman JM. Skirting the transition state, a new paradigm in reaction rate theory Proceedings of the National Academy of Sciences of the United States of America. 103: 16061-16062. PMID 17060637 DOI: 10.1073/pnas.0607810103  1
2006 Xie Z, Bowman JM, Zhang X. Quasiclassical trajectory study of the reaction H+CH4(nu3 = 0,1)-->CH3+H2 using a new ab initio potential energy surface. The Journal of Chemical Physics. 125: 133120. PMID 17029446 DOI: 10.1063/1.2238871  1
2006 Pan JJ, Arseneau DJ, Senba M, Garner DM, Fleming DG, Xie T, Bowman JM. Termolecular kinetics for the Mu + CO + M recombination reaction: A unique test of quantum rate theory. The Journal of Chemical Physics. 125: 014307. PMID 16863298 DOI: 10.1063/1.2209679  0.6
2006 Xie Z, Bowman JM. Zero-point energy constraint in quasi-classical trajectory calculations. The Journal of Physical Chemistry. A. 110: 5446-9. PMID 16623473 DOI: 10.1021/jp055861e  1
2006 Rheinecker JL, Bowman JM. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface. The Journal of Chemical Physics. 124: 131102. PMID 16613440 DOI: 10.1063/1.2186990  1
2006 Huang X, Johnson LM, Bowman JM, McCoy AB. Deuteration effects on the structure and infrared spectrum of CH5(+). Journal of the American Chemical Society. 128: 3478-9. PMID 16536495 DOI: 10.1021/ja057514o  1
2006 Jin Z, Braams BJ, Bowman JM. An ab initio based global potential energy surface describing CH5+ --> CH3+ + H2. The Journal of Physical Chemistry. A. 110: 1569-74. PMID 16435818 DOI: 10.1021/jp053848o  0.76
2006 Huang X, Braams BJ, Bowman JM. Ab initio potential energy and dipole moment surfaces of (H2O)2. The Journal of Physical Chemistry. A. 110: 445-51. PMID 16405316 DOI: 10.1021/jp053583d  0.8
2006 Huang X, McCoy AB, Bowman JM, Johnson LM, Savage C, Dong F, Nesbitt DJ. Quantum deconstruction of the infrared spectrum of CH5+. Science (New York, N.Y.). 311: 60-3. PMID 16400143 DOI: 10.1126/science.1121166  1
2006 Rheinecker J, Bowman JM. The calculated infrared spectrum of Cl- H2O using a new full dimensional ab initio potential surface and dipole moment surface Journal of Chemical Physics. 125. DOI: 10.1063/1.2209675  1
2005 Diken EG, Headrick JM, Roscioli JR, Bopp JC, Johnson MA, McCoy AB, Huang X, Carter S, Bowman JM. Argon predissociation spectroscopy of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) region: intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate. The Journal of Physical Chemistry. A. 109: 571-5. PMID 16833381 DOI: 10.1021/jp045612a  1
2005 McCoy AB, Huang X, Carter S, Bowman JM. Quantum studies of the vibrations in H3O2- and D3O2-. The Journal of Chemical Physics. 123: 64317. PMID 16122318 DOI: 10.1063/1.2001654  1
2005 Hammer NI, Diken EG, Roscioli JR, Johnson MA, Myshakin EM, Jordan KD, McCoy AB, Huang X, Bowman JM, Carter S. The vibrational predissociation spectra of the H5O2 +RGn(RG = Ar,Ne) clusters: correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion. The Journal of Chemical Physics. 122: 244301. PMID 16035751 DOI: 10.1063/1.1927522  1
2005 Xie Z, Braams BJ, Bowman JM. Ab initio global potential-energy surface for H5(+) --> H3(+) + H2. The Journal of Chemical Physics. 122: 224307. PMID 15974668 DOI: 10.1063/1.1927529  1
2005 Zhang X, Rheinecker JL, Bowman JM. Quasiclassical trajectory study of formaldehyde unimolecular dissociation: H(2)CO-->H2 + CO, H + HCO. The Journal of Chemical Physics. 122: 114313. PMID 15836221 DOI: 10.1063/1.1872838  1
2005 McCoy AB, Huang X, Carter S, Landeweer MY, Bowman JM. Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface. The Journal of Chemical Physics. 122: 061101. PMID 15740358 DOI: 10.1063/1.1857472  1
2005 Huang X, Braams BJ, Bowman JM. Ab initio potential energy and dipole moment surfaces for H5O2 +. The Journal of Chemical Physics. 122: 44308. PMID 15740249 DOI: 10.1063/1.1834500  0.8
2005 Bowman JM. Enhancement of tunneling due to resonances in pre-barrier wells in chemical reactions Chemical Physics. 308: 255-257. DOI: 10.1016/j.chemphys.2004.03.024  1
2004 Nee MJ, Osterwalder A, Neumark DM, Kaposta C, Cibrián Uhalte C, Xie T, Kaledin A, Bowman JM, Carter S, Asmis KR. Experimental and theoretical study of the infrared spectra of BrHI- and BrDI-. The Journal of Chemical Physics. 121: 7259-68. PMID 15473794 DOI: 10.1063/1.1794671  1
2004 Brown A, McCoy AB, Braams BJ, Jin Z, Bowman JM. Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach. The Journal of Chemical Physics. 121: 4105-16. PMID 15332956 DOI: 10.1063/1.1775767  1
2004 Rheinecker J, Xie T, Bowman JM. A reduced dimensionality quasiclassical and quantum study of the proton transfer reaction H3O(+)+H2O-->H2O+H3O(+). The Journal of Chemical Physics. 120: 7018-23. PMID 15267602 DOI: 10.1063/1.1668637  0.6
2004 Huang X, Braams BJ, Carter S, Bowman JM. Quantum calculations of vibrational energies of H3O2- on an ab initio potential. Journal of the American Chemical Society. 126: 5042-3. PMID 15099067 DOI: 10.1021/ja049801i  0.8
2004 Bowman JM, Xantheas SS. "Morphing" of ab initio-based interaction potentials to spectroscopic accuracy: Application to Cl-(H2O) Pure and Applied Chemistry. 76: 29-35.  1
2002 Bowman JM, Huang X, Carter S. Full dimensional calculations of vibrational energies of H3O+ and D3O+. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 58: 839-48. PMID 11991498  0.8
2002 Zou S, Bowman JM. Full dimensionality quantum calculations of acetylene/vinylidene isomerization Journal of Chemical Physics. 117: 5507-5510. DOI: 10.1063/1.1507118  1
2002 Zou S, Bowman JM. Reduced dimensionality quantum calculations of acetylene↔vinylidene isomerization Journal of Chemical Physics. 116: 6667-6673. DOI: 10.1063/1.1462580  1
2002 Christoffel KM, Bowman JM. A quasiclassical trajectory study of O(1D)+ HCL reactive scattering on an improved ab initio surface Journal of Chemical Physics. 116: 4842-4846. DOI: 10.1063/1.1453403  1
2002 Bowman JM. Overview of reduced dimensionality quantum approaches to reactive scattering Theoretical Chemistry Accounts. 108: 125-133. DOI: 10.1007/s00214-002-0359-5  1
2001 Wang D, Bowman JM. A reduced dimensionality, six-degree-of-freedom, quantum calculation of the H+CH4→H2+CH3 reaction Journal of Chemical Physics. 115: 2055-2061. DOI: 10.1063/1.1383048  1
2000 Bowman JM. Chemistry: Beyond platonic molecules Science. 290: 724-725. PMID 11184203 DOI: 10.1126/science.290.5492.724  1
2000 Bittererova M, Bowman JM. Wave-packet calculation of the effect of reactant rotation and alignment on product branching in the O(1D)+HCl→ClO+H, OH+Cl reactions Journal of Chemical Physics. 113: 1-3. DOI: 10.1063/1.481765  1
1998 Qi J, Bowman JM. Quantum calculations of inelastic and dissociative scattering of HCO by Ar Journal of Chemical Physics. 109: 1734-1742. DOI: 10.1063/1.476747  1
1998 Bowman JM. Resonances: Bridge between spectroscopy and dynamics Journal of Physical Chemistry A. 102: 3006-3017.  1
1998 Dzegilenko FN, Bowman JM. "Spectator" modes in resonance-driven reactions: Three-dimensional quantum calculations of HOCO resonances Journal of Chemical Physics. 108: 511-518.  1
1997 Qi J, Bowman JM. A test of J-shifting for H + CO recombination Chemical Physics Letters. 276: 371-374.  1
1997 Qi J, Bowman JM. Approximations based on the adiabatic treatment of rotation for resonances Journal of Chemical Physics. 107: 9960-9965.  1
1997 Bowman JM, Gazdy B. A new perspective on isomerization dynamics illustrated by HCN → HNC Journal of Physical Chemistry A. 101: 6384-6388.  1
1997 Bowman JM, Metropoulos A. Complex L2 calculation of HOCO resonances Journal of the Chemical Society - Faraday Transactions. 93: 815-818.  1
1996 Christoffel KM, Bowman JM. Quasiclassical trajectory calculations of photodissociation of Ar-H2O(X̃-Ã) and H2O(X̃-Ã) Journal of Chemical Physics. 104: 8348-8356.  1
1996 Qi J, Bowman JM. Resonances in the cumulative reaction probability for a model electronically nonadiabatic reaction Journal of Chemical Physics. 104: 7545-7553.  1
1996 Qi J, Bowman JM. The effect of rotation on resonances: Application to HCO Journal of Chemical Physics. 105: 9884-9889.  1
1996 Qi J, Bowman JM. Quantum calculation of the recombination rate constant of H + CO → HCO Journal of Physical Chemistry. 100: 15165-15170.  1
1996 Dzegilenko FN, Bowman JM. Recovering a full dimensional quantum rate constant from a reduced dimensionality calculation: Application to the OH+CO→H+CO2 reaction Journal of Chemical Physics. 105: 2280-2286.  1
1996 Bowman JM, Padmavathi DA. Quantum calculations of inelastic scattering of HCN and HNC by Ar Molecular Physics. 88: 21-32.  1
1995 Wang D, Bowman JM. Complex L2 calculations of bound states and resonances of HCO and DCO Chemical Physics Letters. 235: 277-285. DOI: 10.1016/0009-2614(95)00104-C  1
1995 Mayrhofer RC, Bowman JM. Calculation of the photodetachment spectrum of OHCI using complex L 2 functions The Journal of Chemical Physics. 102: 5598-5604.  1
1995 Bowman JM, Schatz GC. Theoretical studies of polyatomic bimolecular reaction dynamics Annual Review of Physical Chemistry. 46: 169-195.  1
1995 Pan B, Bowman JM. Quantum scattering calculations of energy transfer and dissociation of HCO in collisions with Ar The Journal of Chemical Physics. 103: 9661-9668.  1
1994 Bowman JM. A test of an adiabatic treatment of rotation for vibration/rotation energies of polyatomic molecules Chemical Physics Letters. 217: 36-40. DOI: 10.1016/0009-2614(93)E1328-E  1
1994 Wang D, Bowman JM. L2 calculations of resonances and final rotational distributions for HCO → H+CO The Journal of Chemical Physics. 100: 1021-1027.  1
1994 Mayrhofer RC, Bowman JM. Application of complex L2 functions to the calculation of photodissociation processes The Journal of Chemical Physics. 100: 7229-7238.  1
1994 Wang D, Bowman JM. Quantum calculations of unusual mode specificity in H+C2H 2→H2+C2H The Journal of Chemical Physics. 101: 8646-8662.  1
1994 Lan BL, Bowman JM. Collision induced isomerization of a semirigid bender hydrogen cyanide The Journal of Chemical Physics. 101: 8564-8571.  1
1994 Wang D, Bowman JM. New reduced dimensionality calculations of cumulative reaction probabilities and rate constants for the H + H2 and D + H2 reactions Journal of Physical Chemistry. 98: 7994-7999.  1
1993 Wang D, Bowman JM. An adiabatic-bend Franck-Condon model for final rotational distributions in the H + H2O and H + D2O reactions Chemical Physics Letters. 207: 227-235. DOI: 10.1016/0009-2614(93)87019-Y  1
1993 Lan BL, Bowman JM. Time-dependent quantum study of the HCN → HNC isomerization Journal of Physical Chemistry. 97: 12535-12540.  1
1993 Wang D, Bowman JM. Quantum calculations of mode specificity in reactions of H with HOD and H2O The Journal of Chemical Physics. 98: 6235-6247.  1
1992 Bowman JM, Gazdy B. Variational calculations of bound and quasi-bound states of HCO (J=0 and 1) and comparison with experiment Chemical Physics Letters. 200: 311-317. DOI: 10.1016/0009-2614(92)80016-5  1
1992 Wang D, Bowman JM. Reduced dimensionality quantum calculations of mode specificity in OH + H2↔H2O + H The Journal of Chemical Physics. 96: 8906-8913.  1
1992 Bowman JM, Wang D. Mode selectivity in reactions of H with HOD(100), HOD(001), and HOD(002) The Journal of Chemical Physics. 96: 7851-7854.  1
1991 Bowman JM. Vibrational energies and wavefunctions of high energy localized and floppy states of non-rotating HO2 Chemical Physics Letters. 180: 249-256. DOI: 10.1016/0009-2614(91)87148-5  1
1991 Bowman JM, Gazdy B. A truncation/recoupling method for eigenvalues and eigenvectors ideal for parallel computation Theoretica Chimica Acta. 79: 215-224. DOI: 10.1007/BF01113693  1
1991 Bowman JM. Quantized transition state [2] Chemical and Engineering News. 69: 2.  1
1991 Bowman JM. Reduced dimensionality theory of quantum reactive scattering Journal of Physical Chemistry. 95: 4960-4968.  1
1991 Bowman JM. Comment on "effect of rotational quantum states (J = 0, 1) on the tunneling reaction H2 + H → H + H2 in parahydrogen solid at 4.2 K", Journal of Physical Chemistry. 95: 4921-4922.  1
1991 Bowman JM, Gazdy B. A truncation/recoupling method for basis set calculations of eigenvalues and eigenvectors The Journal of Chemical Physics. 94: 454-460.  1
1991 Shima Y, Bowman JM. Model calculations of electronic excitation of Li adsorbed on LiF(001) The Journal of Chemical Physics. 94: 801-805.  1
1991 Gazdy B, Bowman JM. An adjusted global potential surface for HCN based on rigorous vibrational calculations The Journal of Chemical Physics. 95: 6309-6316.  1
1991 Bowman JM, Gazdy B. A simple method to adjust potential energy surfaces: Application to HCO The Journal of Chemical Physics. 94: 816-817.  1
1990 Bowman JM, Schafer P. A new functional form for global potentials of floppy molecules Journal of Molecular Structure. 224: 133-139. DOI: 10.1016/0022-2860(90)87012-M  1
1990 Gazdy B, Bowman JM. Calculations of highly excited vibrational energies of HCN (n1, 0, n3): a test of a two-mode model, and comparison with experiment Chemical Physics Letters. 175: 434-440. DOI: 10.1016/0009-2614(90)85560-Y  1
1990 Sun Q, Bowman JM. New reduced dimensionality rate constants for D + H2(v=0,1) and H + D2(v=0,1) and a test of CEQB/G theory Journal of Physical Chemistry. 94: 718-721.  1
1990 Sun Q, Bowman JM. Reduced dimensionality diatom-diatom reactive scattering: Application to a model H2+A2→H+HA2 reaction The Journal of Chemical Physics. 92: 1021-1029.  1
1990 Sun Q, Bowman JM. Reduced dimensionality quantum reactive scattering: H2+CN→ H+HCN The Journal of Chemical Physics. 92: 5201-5210.  1
1990 Bowman JM, Gazdy B. A movable basis method to calculate vibrational energies of molecules The Journal of Chemical Physics. 93: 1774-1784.  1
1989 Bowman JM, Gazdy B. A reduced dimensionality L2 simulation of the photodetachment spectra of ClHCl- and IHI- Journal of Physical Chemistry. 93: 5129-5135.  1
1989 Gazdy B, Bowman JM. A three-dimensional L2 simulation of the photodetachment spectra of CIHCI- and IHI- The Journal of Chemical Physics. 91: 4615-4624.  1
1988 Wierzbicki A, Bowman JM. GVSCF: A general code to perform vibrational self-consistent field calculations Computer Physics Communications. 51: 225-232. DOI: 10.1016/0010-4655(88)90074-4  1
1987 Gazdy B, Bowman JM. Novel decomposition of the multichannel scattering matrix at resonances Physical Review Letters. 59: 3-5. DOI: 10.1103/PhysRevLett.59.3  1
1987 Gazdy B, Bowman JM. New decomposition of the S matrix for multichannel resonant collisions Physical Review A. 36: 3083-3090. DOI: 10.1103/PhysRevA.36.3083  1
1987 Bowman JM. Comparison of reduced dimensionality and accurate cumulative reaction probabilities for O(3P)+H2(ν=0, 1) Chemical Physics Letters. 141: 545-547. DOI: 10.1016/0009-2614(87)85078-9  1
1987 Bowman JM, Gazdy B. Evidence for a rotational rainbow in inelastic hot atom experiments? [1] The Journal of Chemical Physics. 86: 3046.  1
1987 Wierzbicki A, Bowman JM. Self-consistent field investigation of vibrations of atomic adsorbates a The Journal of Chemical Physics. 87: 2363-2369.  1
1987 Lee KT, Bowman JM. Rotational distributions from resonant and direct scattering in H+CO and tests of statistical theories The Journal of Chemical Physics. 86: 215-225.  1
1987 Wagner AF, Bowman JM. The addition and dissociation reaction H + CO ⇌ HCO. 1. Theoretical RRKM studies Journal of Physical Chemistry. 91: 5314-5324.  1
1986 Bowman JM. Reduced dimensionality quantum calculations of resonances in H + H2 Chemical Physics Letters. 124: 260-263. DOI: 10.1016/0009-2614(86)87042-7  1
1986 Bowman JM. The self-consistent-field approach to polyatomic vibrations Accounts of Chemical Research®. 19: 202-208.  1
1986 Bowman JM. Collision lifetime approach to recombination and a new derivation of RRKM theory Journal of Physical Chemistry. 90: 3492-3495.  1
1986 Bowman JM, Wagner AF. Reaction dynamics for O(3P)+HD. V. Reduced dimensionality quantum and quasiclassical reaction probabilities and rate constants with an adiabatic incorporation of the bending motion The Journal of Chemical Physics. 86: 1967-1975.  1
1986 Wagner AF, Bowman JM. Reaction dynamics for O(3P)+H2, D2, and HD. VI. Comparison of TST and reduced dimensionality quantum and quasiclassical isotope effects with experiment The Journal of Chemical Physics. 86: 1976-1981.  1
1986 Lee KT, Bowman JM. Rotational distributions and collision lifetimes in H+CO scattering The Journal of Chemical Physics. 85: 6225-6226.  1
1985 Bowman JM. Nuclear men-field theory Physics Today. 38: 9. DOI: 10.1063/1.2814797  1
1985 Park SC, Bowman JM. A semiclassical calculation of the temperature dependence of inelastic phonon transitions in gas-surface scattering: He/Si(100)-(2 × 1) Chemical Physics Letters. 119: 275-280. DOI: 10.1016/0009-2614(85)80416-4  1
1984 Park SC, Bowman JM. Another derivation of the cos φ-law for molecules scattered statistically from surfaces Chemical Physics Letters. 110: 383-384. DOI: 10.1016/0009-2614(84)85447-0  1
1984 Romanowski H, Bowman JM. Test of the adiabatic approximation for vibrational energies of H2O Chemical Physics Letters. 110: 235-239. DOI: 10.1016/0009-2614(84)85220-3  1
1984 Park SC, Bowman JM. Classical trajectory-quantum forced oscillator study of gas-surface phonon scattering: He/Si(100)-(2 × 1) The Journal of Chemical Physics. 81: 6277-6280.  1
1983 Milfeld KF, Bowman JM. A model study of the laser-induced stabilization of a collision complex Chemical Physics Letters. 100: 529-534. DOI: 10.1016/0009-2614(83)87422-3  1
1983 Bowman JM, Lee KT. Reduced dimensionality quantum calculations of integral cross sections for H + H2(υ = 1) → H2(υ′ = 0), H2(υ′ = 1) + H Chemical Physics Letters. 94: 363-365. DOI: 10.1016/0009-2614(83)80745-3  1
1983 Bowman JM, Gossage JL. Rotational cooling of rigid rotors desorbed from flat surfaces Chemical Physics Letters. 96: 481-484. DOI: 10.1016/0009-2614(83)80736-2  1
1983 Christoffel KM, Bowman JM. Complex coordinate calculations of Feshbach resonance energies and widths for a collinear triatomic system The Journal of Chemical Physics. 78: 3952-3958.  1
1983 Park SC, Bowman JM. Quasiclassical trajectory studies of rigid rotor-rigid surface scattering. II. Corrugated surface The Journal of Chemical Physics. 80: 2183-2190.  1
1983 Park SC, Bowman JM. Model studies of atom and molecule diffusion on surfaces The Journal of Chemical Physics. 80: 2191-2196.  1
1982 Christoffel KM, Bowman JM. Investigations of self-consistent field, scf ci and virtual stateconfiguration interaction vibrational energies for a model three-mode system Chemical Physics Letters. 85: 220-224. DOI: 10.1016/0009-2614(82)80335-7  1
1982 Bowman JM, Park S. Quasitrapping and rainbow mechanisms in model rigid-rotor-rigid-surface scattering The Journal of Chemical Physics. 76: 1168-1170.  1
1982 Bowman JM, Park SC. Quasiclassical trajectory studies of rigid rotor-rigid surface scattering. I. Flat surface The Journal of Chemical Physics. 77: 5441-5449.  1
1982 Lee KT, Bowman JM. Approximate quantum differential cross section for the F + HD → HF + D and DF + H reactions Journal of Physical Chemistry. 86: 2289-2291.  1
1981 Christoffel KM, Bowman JM. Quantum and classical dynamics of a coupled double well oscillator The Journal of Chemical Physics. 74: 5057-5075.  1
1981 Christoffel KM, Bowman JM. Complex coordinate, self-consistent field calculations of vibrational resonance energies The Journal of Chemical Physics. 76: 5370-5374.  1
1981 Christoffel KM, Bowman JM. Classical trajectory studies of multiphoton and overtone absorption of HF Journal of Physical Chemistry. 85: 2159-2163.  1
1981 Bowman JM, Lee KT. Reply to comment by Thomas on "On rainbow scattering in inelastic molecular collisions" The Journal of Chemical Physics. 74: 2664-2665.  1
1980 Tobin FL, Bowman JM. An SCF-state interaction method for coupled oscillator systems Chemical Physics. 47: 151-159. DOI: 10.1016/0301-0104(80)85002-6  1
1980 Sachs JG, Bowman JM. Wave vector modification of the infinite order sudden approximation The Journal of Chemical Physics. 73: 3699-3708.  1
1980 Bowman JM, Lee KT. Sudden rotation reactive scattering: Theory and application to 3-D H+H 2 The Journal of Chemical Physics. 72: 5071-5088.  1
1979 Bowman JM. Rotational rainbows in inelastic atom-molecule differential cross sections Chemical Physics Letters. 62: 309-311. DOI: 10.1016/0009-2614(79)80185-2  1
1979 Bowman JM, Lee KT. Tests of semiclassical theory for rotationally inelastic scattering Chemical Physics Letters. 60: 212-215. DOI: 10.1016/0009-2614(79)80017-2  1
1978 Bowman JM, Leasure S. Deactivation pathways in collisions of Kr with CO2(001) Chemical Physics Letters. 56: 183-185. DOI: 10.1016/0009-2614(78)80216-4  1
1978 Bowman JM. Self-consistent field energies and wavefunctions for coupled oscillators The Journal of Chemical Physics. 68: 608-610.  1
1978 Leasure S, Bowman JM. Laplace transformation of the Schrödinger equation: Application to scattering The Journal of Chemical Physics. 68: 2825-2830.  1
1977 Leasure SC, Bowman JM. Fully converged sudden rotation total integral cross sections for 4He + H2 (ν = 0, j = 0) → 4He + H2 (ν′ = 1, j′) Chemical Physics Letters. 48: 179-183. DOI: 10.1016/0009-2614(77)80244-3  1
1977 Ray CJ, Bowman JM. Quasiclassical studies of rigid rotor-solid surface diffraction scattering The Journal of Chemical Physics. 66: 1122-1126.  1
1977 Bowman JM, Lee KT. Sudden approximation calculations of reactive scattering: The H+H 2 reaction The Journal of Chemical Physics. 68: 3940-3941.  1
1976 Bowman JM, Arruda J. Static rotation and quasiclassical total cross sections for atom-rigid rotor scattering:4He + I*2(j = 12) → 4He + I*2 (j1) Chemical Physics Letters. 41: 43-45. DOI: 10.1016/0009-2614(76)85242-6  1
1976 Leasure SC, Bowman JM. A dynamic threshold in the F + H2 → HF + H reaction as determined from three-dimensional quasi-classical-reverse trajectory calculations Chemical Physics Letters. 39: 462-467. DOI: 10.1016/0009-2614(76)80304-1  1
1976 Bowman JM. Sudden rotation total rotational inelastic cross sections for 4He+I2 The Journal of Chemical Physics. 66: 296-297.  1
1976 Bowman JM, Leasure SC. An improved quasiclassical histogram method The Journal of Chemical Physics. 66: 1756-1757.  1
1976 Bowman JM, Leasure SC. Sudden rotation calculations of atom-molecule scattering The Journal of Chemical Physics. 66: 288-295.  1
1976 Leasure SC, Bowman JM. On the use of an adiabaticity criterion to reduce computation time in quasiclassical trajectory calculations The Journal of Chemical Physics. 64: 4229-4230.  1
1975 Bowman JM, Kuppermann A. A semi-numerical approach to the construction and fitting of triatomic potential energy surfaces Chemical Physics Letters. 34: 523-527. DOI: 10.1016/0009-2614(75)85554-0  1
1975 Ray CJ, Bowman JM. Quasiclassical trajectory calculations of He-LiF (001) diffraction scattering The Journal of Chemical Physics. 63: 5231-5234.  1
1973 Bowman JM, Kupperman A. Semi-classical s matrix theory of reactive and non-reactive atom-molecule collisions Chemical Physics. 2: 158-170. DOI: 10.1016/0301-0104(73)80002-3  1
1973 Bowman JM, Kuppermann A. Comparison of semi-classical, exact quantum, and quasi-classical reactive transition probabilities for the collinear H + H2 reaction Chemical Physics Letters. 19: 166-170. DOI: 10.1016/0009-2614(73)85045-6  1
1973 Bowman JM, Kuppermann A. Comparison of semiclassical, quasiclassical, and exact quantum transition probabilities for the collinear H+H2 exchange reaction The Journal of Chemical Physics. 6556-6562.  1
1971 Bowman JM, Kuppermann A. Classical and quantum reaction probabilities and thermal rate constants for the collinear H+H2 exchange reaction with vibrational excitation Chemical Physics Letters. 12: 1-4. DOI: 10.1016/0009-2614(71)80602-4  1
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