John F. Stanton, Ph.D. - Publications

Affiliations: 
Chemistry University of Texas, Austin, Texas 
Area:
spectroscopy, quantum chemistry
Website:
http://www.cm.utexas.edu/john_stanton

201 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any innacuracies, 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 Thorpe JH, Lopez CA, Nguyen TL, Baraban JH, Bross DH, Ruscic B, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency. The Journal of Chemical Physics. 150: 224102. PMID 31202223 DOI: 10.1063/1.5095937  0.64
2019 Nguyen TL, Ruscic B, Stanton JF. A master equation simulation for the OH + CHOH reaction. The Journal of Chemical Physics. 150: 084105. PMID 30823757 DOI: 10.1063/1.5081827  0.4
2019 McCarthy MC, Martin-Drumel MA, Baraban J, Changala PB, Stanton J. The hunt for elusive molecules: Insights from joint theoretical and experimental investigations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30673130 DOI: 10.1002/chem.201805986  0.6
2018 Tajti A, Stanton JF, Matthews DA, Szalay PG. Accuracy of coupled cluster excited state potential energy surfaces. Journal of Chemical Theory and Computation. PMID 30299948 DOI: 10.1021/acs.jctc.8b00681  0.6
2018 Gong JZ, Matthews DA, Changala PB, Stanton JF. Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results. The Journal of Chemical Physics. 149: 114102. PMID 30243279 DOI: 10.1063/1.5040360  0.6
2018 Nguyen TL, Thorpe JH, Bross DH, Ruscic B, Stanton JF. Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study. The Journal of Physical Chemistry Letters. PMID 29697985 DOI: 10.1021/acs.jpclett.8b01259  0.4
2018 Morgan WJ, Matthews DA, Ringholm M, Agarwal J, Gong JZ, Ruud K, Allen WD, Stanton JF, Schaefer HF. Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde. Journal of Chemical Theory and Computation. PMID 29474074 DOI: 10.1021/acs.jctc.7b01138  0.52
2018 Cheng L, Wang F, Stanton JF, Gauss J. Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods. The Journal of Chemical Physics. 148: 044108. PMID 29390840 DOI: 10.1063/1.5012041  1
2018 Bui TQ, Bjork BJ, Changala PB, Nguyen TL, Stanton JF, Okumura M, Ye J. Direct measurements of DOCO isomers in the kinetics of OD + CO. Science Advances. 4: eaao4777. PMID 29349298 DOI: 10.1126/sciadv.aao4777  0.6
2017 Baraban J, Martin-Drumel MA, Changala PB, Eibenberger S, Nava M, Patterson D, Stanton JF, Ellison GB, McCarthy MC. The molecular structure of gauche-1,3-butadiene: Experimental proof of non-planarity. Angewandte Chemie (International Ed. in English). PMID 29239124 DOI: 10.1002/anie.201709966  0.6
2017 Weichman ML, Cheng L, Kim JB, Stanton JF, Neumark DM. Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations. The Journal of Chemical Physics. 146: 224309. PMID 29166074 DOI: 10.1063/1.4984963  0.72
2017 Changala PB, Nguyen TL, Baraban JH, Ellison GB, Stanton JF, Bross DH, Ruscic B. Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide. The Journal of Physical Chemistry. A. PMID 28877582 DOI: 10.1021/acs.jpca.7b06221  0.64
2017 Porterfield JP, Bross DH, Ruscic B, Thorpe JH, Nguyen TL, Baraban JH, Stanton JF, Daily JW, Ellison GB. Thermal Decomposition of Potential Ester Biofuels Part I: Methyl Acetate and Methyl Butanoate. The Journal of Physical Chemistry. A. PMID 28517940 DOI: 10.1021/acs.jpca.7b02639  0.64
2017 Cheng L, Gauss J, Ruscic B, Armentrout PB, Stanton JF. Bond dissociation energies for diatomic molecules containing 3d transition metals: Benchmark scalar-relativistic coupled-cluster calculations for twenty molecules. Journal of Chemical Theory and Computation. PMID 28080054 DOI: 10.1021/acs.jctc.6b00970  1
2016 Matthews DA, Stanton JF. A new approach to approximate equation-of-motion coupled cluster with triple excitations. The Journal of Chemical Physics. 145: 124102. PMID 27782677 DOI: 10.1063/1.4962910  0.52
2016 Nava M, Martin-Drumel MA, Lopez CA, Crabtree KN, Womack CC, Nguyen TL, Thorwirth S, Cummins CC, Stanton JF, McCarthy MC. Spontaneous and Selective Formation of HSNO, a Crucial Intermediate Linking H2S and Nitroso Chemistries. Journal of the American Chemical Society. PMID 27540860 DOI: 10.1021/jacs.6b05886  1
2016 Baraban JH, Matthews DA, Stanton JF. Communication: An accurate calculation of the S1 C2H2 cis-trans isomerization barrier height. The Journal of Chemical Physics. 144: 111102. PMID 27004854 DOI: 10.1063/1.4943865  1
2016 Porterfield JP, Baraban JH, Troy TP, Ahmed M, McCarthy MC, Morgan KM, Daily JW, Nguyen TL, Stanton JF, Ellison GB. Pyrolysis of the Simplest Carbohydrate, Glycolaldehyde (CHO-CH2OH), and Glyoxal in a Heated Micro-Reactor. The Journal of Physical Chemistry. A. PMID 26979134 DOI: 10.1021/acs.jpca.6b00652  1
2016 Cave RJ, Stanton JF. A simple quasi-diabatization scheme suitable for spectroscopic problems based on one-electron properties of interacting states. The Journal of Chemical Physics. 144: 054110. PMID 26851911 DOI: 10.1063/1.4940426  1
2016 Rabidoux SM, Eijkhout V, Stanton JF. A Highly-Efficient Implementation of the Doktorov Recurrence Equations for Franck-Condon Calculations. Journal of Chemical Theory and Computation. PMID 26735138 DOI: 10.1021/acs.jctc.5b00560  1
2015 Zhang X, Sander SP, Cheng L, Thimmakondu VS, Stanton JF. Matrix-Isolated Infrared Absorption Spectrum of CH2IOO Radical. The Journal of Physical Chemistry. A. PMID 26695757 DOI: 10.1021/acs.jpca.5b12143  0.72
2015 Baraban JH, Changala PB, Mellau GC, Stanton JF, Merer AJ, Field RW. Spectroscopic characterization of isomerization transition states. Science (New York, N.Y.). 350: 1338-1342. PMID 26659051 DOI: 10.1126/science.aac9668  1
2015 Matthews DA, Stanton JF. Accelerating the convergence of higher-order coupled cluster methods. The Journal of Chemical Physics. 143: 204103. PMID 26627946 DOI: 10.1063/1.4936241  0.52
2015 Porterfield JP, Nguyen TL, Baraban JH, Buckingham GT, Troy TP, Kostko O, Ahmed M, Stanton JF, Daily JW, Ellison GB. Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor. The Journal of Physical Chemistry. A. PMID 26617252 DOI: 10.1021/acs.jpca.5b10984  1
2015 Gozem S, Gunina AO, Ichino T, Osborn DL, Stanton JF, Krylov AI. Photoelectron Wave Function in Photoionization: Plane Wave or Coulomb Wave? The Journal of Physical Chemistry Letters. PMID 26509428 DOI: 10.1021/acs.jpclett.5b01891  1
2015 Nguyen TL, Baraban JH, Ruscic B, Stanton JF. On the HCN - HNC Energy Difference. The Journal of Physical Chemistry. A. 119: 10929-34. PMID 26447346 DOI: 10.1021/acs.jpca.5b08406  1
2015 Oliveira AM, Lu YJ, Lehman JH, Changala PB, Baraban JH, Stanton JF, Lineberger WC. Photoelectron Spectroscopy of the Methide Anion: Electron Affinities of (•)CH3 and (•)CD3 and Inversion Splittings of CH3(-) and CD3(.) Journal of the American Chemical Society. PMID 26389796 DOI: 10.1021/jacs.5b07013  1
2015 Amberger BK, Esselman BJ, Stanton JF, Woods RC, McMahon RJ. Precise equilibrium structure determination of hydrazoic acid (HN3) by millimeter-wave spectroscopy. The Journal of Chemical Physics. 143: 104310. PMID 26374038 DOI: 10.1063/1.4929792  1
2015 McCarthy MC, Baraban JH, Changala PB, Stanton JF, Martin-Drumel MA, Thorwirth S, Gottlieb CA, Reilly NJ. Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster. The Journal of Physical Chemistry Letters. 6: 2107-11. PMID 26266510 DOI: 10.1021/acs.jpclett.5b00770  0.64
2015 Thompson MC, Baraban JH, Matthews DA, Stanton JF, Weber JM. Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions. The Journal of Chemical Physics. 142: 234304. PMID 26093556 DOI: 10.1063/1.4922609  1
2015 Reilly NJ, Changala PB, Baraban JH, Kokkin DL, Stanton JF, McCarthy MC. Communication: The ground electronic state of Si2C: Rovibrational level structure, quantum monodromy, and astrophysical implications. The Journal of Chemical Physics. 142: 231101. PMID 26093543 DOI: 10.1063/1.4922651  0.64
2015 Cheng L, Gauss J, Stanton JF. Relativistic coupled-cluster calculations on XeF6: Delicate interplay between electron-correlation and basis-set effects. The Journal of Chemical Physics. 142: 224309. PMID 26071712 DOI: 10.1063/1.4922112  1
2015 Southworth SH, Wehlitz R, Picón A, Lehmann CS, Cheng L, Stanton JF. Inner-shell photoionization and core-hole decay of Xe and XeF2. The Journal of Chemical Physics. 142: 224302. PMID 26071705 DOI: 10.1063/1.4922208  1
2015 Codd T, Chen MW, Roudjane M, Stanton JF, Miller TA. Jet cooled cavity ringdown spectroscopy of the A˜(2)E(″)←X˜(2)A2 (') transition of the NO3 radical. The Journal of Chemical Physics. 142: 184305. PMID 25978889 DOI: 10.1063/1.4919690  1
2015 Nguyen TL, Lee H, Matthews DA, McCarthy MC, Stanton JF. Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis. The Journal of Physical Chemistry. A. 119: 5524-33. PMID 25945650 DOI: 10.1021/acs.jpca.5b02088  1
2015 Broderick BM, McCaslin L, Moradi CP, Stanton JF, Douberly GE. Reactive intermediates in (4)He nanodroplets: infrared laser Stark spectroscopy of dihydroxycarbene. The Journal of Chemical Physics. 142: 144309. PMID 25877580 DOI: 10.1063/1.4917421  1
2015 Nguyen TL, Stanton JF. A Steady-State Approximation to the Two-Dimensional Master Equation for Chemical Kinetics Calculations. The Journal of Physical Chemistry. A. 119: 7627-36. PMID 25815602 DOI: 10.1021/acs.jpca.5b00997  1
2015 Matthews DA, Stanton JF. Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations. The Journal of Chemical Physics. 142: 064108. PMID 25681888 DOI: 10.1063/1.4907278  1
2015 Ormond TK, Scheer AM, Nimlos MR, Robichaud DJ, Troy TP, Ahmed M, Daily JW, Nguyen TL, Stanton JF, Ellison GB. Pyrolysis of Cyclopentadienone: Mechanistic Insights from a Direct Measurement of Product Branching Ratios. The Journal of Physical Chemistry. A. 119: 7222-34. PMID 25608038 DOI: 10.1021/jp511390f  1
2015 Martinez O, Crabtree KN, Gottlieb CA, Stanton JF, McCarthy MC. An accurate molecular structure of phenyl, the simplest aryl radical. Angewandte Chemie (International Ed. in English). 54: 1808-11. PMID 25521111 DOI: 10.1002/anie.201409896  1
2015 Cernicharo J, McCarthy MC, Gottlieb CA, Agúndez M, Prieto LV, Baraban JH, Changala PB, Guélin M, Kahane C, Martin-Drumel MA, Patel NA, Reilly NJ, Stanton JF, Quintana-Lacaci G, Thorwirth S, et al. Discovery of SiCSi in IRC+10216: A missing link between gas and dust carriers of Si-C bonds Astrophysical Journal Letters. 806. DOI: 10.1088/2041-8205/806/1/L3  1
2015 Ormond TK, Hemberger P, Troy TP, Ahmed M, Stanton JF, Ellison GB. The ionisation energy of cyclopentadienone: a photoelectron–photoion coincidence study Molecular Physics. DOI: 10.1080/00268976.2015.1042936  1
2015 Zhang R, Steimle TC, Cheng L, Stanton JF. The permanent electric dipole moment of gold chloride, AuCl Molecular Physics. DOI: 10.1080/00268976.2014.996619  1
2015 Mccarthy MC, Baraban JH, Changala PB, Stanton JF, Martin-Drumel MA, Thorwirth S, Gottlieb CA, Reilly NJ. Discovery of a missing link: Detection and structure of the elusive disilicon carbide cluster Journal of Physical Chemistry Letters. 6: 2107-2111. DOI: 10.1021/acs.jpclett.5b00770  1
2015 Stanton JF. Theory and spectroscopy Journal of Molecular Spectroscopy. DOI: 10.1016/j.jms.2015.03.011  1
2015 Lee YP, Stanton JF, van Wijngaarden J. Introduction to the special issue on Spectroscopy of Radicals and Ions in Memory of Marilyn Jacox Journal of Molecular Spectroscopy. DOI: 10.1016/j.jms.2015.02.005  1
2014 Kidwell NM, Vaquero-Vara V, Ormond TK, Buckingham GT, Zhang D, Mehta-Hurt DN, McCaslin L, Nimlos MR, Daily JW, Dian BC, Stanton JF, Ellison GB, Zwier TS. Chirped-Pulse Fourier Transform Microwave Spectroscopy Coupled with a Flash Pyrolysis Microreactor: Structural Determination of the Reactive Intermediate Cyclopentadienone. The Journal of Physical Chemistry Letters. 5: 2201-7. PMID 26279534 DOI: 10.1021/jz5010895  0.52
2014 Nguyen TL, McCarthy MC, Stanton JF. Relatively Selective Production of the Simplest Criegee Intermediate in a CH4/O2 Electric Discharge: Kinetic Analysis of a Plausible Mechanism. The Journal of Physical Chemistry. A. PMID 25405528 DOI: 10.1021/jp510554g  1
2014 Rabidoux SM, Eijkhout V, Stanton JF. Parallelization strategy for large-scale vibronic coupling calculations. The Journal of Physical Chemistry. A. 118: 12059-68. PMID 25295469 DOI: 10.1021/jp507880q  1
2014 Khuseynov D, Stanton JF, Sanov A. Low-lying electronic states of cyclopentadienone. The Journal of Physical Chemistry. A. 118: 6965-70. PMID 25093249 DOI: 10.1021/jp506237u  1
2014 Osborn DL, Vogelhuber KM, Wren SW, Miller EM, Lu YJ, Case AS, Sheps L, McMahon RJ, Stanton JF, Harding LB, Ruscic B, Lineberger WC. Electronic states of the quasilinear molecule propargylene (HCCCH) from negative ion photoelectron spectroscopy. Journal of the American Chemical Society. 136: 10361-72. PMID 25009990 DOI: 10.1021/ja5039984  1
2014 Nguyen TL, Stanton JF. Accurate ab initio thermal rate constants for reaction of O((3)P) with H2 and isotopic analogues. The Journal of Physical Chemistry. A. 118: 4918-28. PMID 24914730 DOI: 10.1021/jp5037124  1
2014 Cave RJ, Stanton JF. Block diagonalization of the equation-of-motion coupled cluster effective Hamiltonian: treatment of diabatic potential constants and triple excitations. The Journal of Chemical Physics. 140: 214112. PMID 24907995 DOI: 10.1063/1.4880757  1
2014 Leavitt CM, Moradi CP, Stanton JF, Douberly GE. Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene. The Journal of Chemical Physics. 140: 171102. PMID 24811618 DOI: 10.1063/1.4874850  1
2014 Prozument K, Park GB, Shaver RG, Vasiliou AK, Oldham JM, David DE, Muenter JS, Stanton JF, Suits AG, Ellison GB, Field RW. Chirped-Pulse millimeter-Wave spectroscopy for dynamics and kinetics studies of pyrolysis reactions. Physical Chemistry Chemical Physics : Pccp. 16: 15739-51. PMID 24756159 DOI: 10.1039/c3cp55352c  1
2014 Womack CC, Crabtree KN, McCaslin L, Martinez O, Field RW, Stanton JF, McCarthy MC. Gas-phase structure determination of dihydroxycarbene, one of the smallest stable singlet carbenes. Angewandte Chemie (International Ed. in English). 53: 4089-92. PMID 24623525 DOI: 10.1002/anie.201311082  1
2014 Changala PB, Baraban JH, Stanton JF, Merer AJ, Field RW. Reduced dimension rovibrational variational calculations of the S(1) state of C2H2. II. The S(1) rovibrational manifold and the effects of isomerization. The Journal of Chemical Physics. 140: 024313. PMID 24437883 DOI: 10.1063/1.4859876  1
2014 Ormond TK, Scheer AM, Nimlos MR, Robichaud DJ, Daily JW, Stanton JF, Ellison GB. Polarized matrix infrared spectra of cyclopentadienone: observations, calculations, and assignment for an important intermediate in combustion and biomass pyrolysis. The Journal of Physical Chemistry. A. 118: 708-18. PMID 24383399 DOI: 10.1021/jp411257k  1
2014 Piech K, Bally T, Ichino T, Stanton J. Vibronic spectra of the p-benzoquinone radical anion and cation: A matrix isolation and computational study Physical Chemistry Chemical Physics. 16: 2011-2019. PMID 24343305 DOI: 10.1039/c3cp53960a  1
2014 Nagesh J, Sibert EL, Stanton JF. Simulation of Ã(2)A(1)←X̃(2)E laser excitation spectrum of CH3O and CD3O. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 90-9. PMID 23507527 DOI: 10.1016/j.saa.2013.02.037  1
2014 Head-Gordon M, Lüthi HP, Gauss J, Schaefer HF, Stanton JF. Introduction to proceedings of Molecular Quantum Mechanics 2013: Electron correlation: The many-body problem at the heart of chemistry Molecular Physics. 112: 557-558. DOI: 10.1080/00268976.2014.881089  1
2014 Kidwell NM, Vaquero-Vara V, Ormond TK, Buckingham GT, Zhang D, Mehta-Hurt DN, McCaslin L, Nimlos MR, Daily JW, Dian BC, Stanton JF, Ellison GB, Zwier TS. Chirped-pulse fourier transform microwave spectroscopy coupled with a flash pyrolysis microreactor: Structural determination of the reactive intermediate cyclopentadienone Journal of Physical Chemistry Letters. 5: 2201-2207. DOI: 10.1021/jz5010895  1
2014 Solomonik E, Matthews D, Hammond JR, Stanton JF, Demmel J. A massively parallel tensor contraction framework for coupled-cluster computations Journal of Parallel and Distributed Computing. 74: 3176-3190. DOI: 10.1016/j.jpdc.2014.06.002  1
2014 Reilly NJ, Steglich M, Kokkin DL, Maier JP, Stanton JF, McCarthy MC. Optical spectrum of Si3C, and a re-analysis of the C~1B1←X~1A1 transition Journal of Molecular Spectroscopy. DOI: 10.1016/j.jms.2014.12.025  1
2013 Matthews DA, Gauss J, Stanton JF. Revisitation of Nonorthogonal Spin Adaptation in Coupled Cluster Theory. Journal of Chemical Theory and Computation. 9: 2567-72. PMID 26583853 DOI: 10.1021/ct301024v  1
2013 Esselman BJ, Amberger BK, Shutter JD, Daane MA, Stanton JF, Woods RC, McMahon RJ. Rotational spectroscopy of pyridazine and its isotopologs from 235-360 GHz: equilibrium structure and vibrational satellites. The Journal of Chemical Physics. 139: 224304. PMID 24329065 DOI: 10.1063/1.4832899  1
2013 Wang F, Steimle TC, Adam AG, Cheng L, Stanton JF. The pure rotational spectrum of ruthenium monocarbide, RuC, and relativistic ab initio predictions. The Journal of Chemical Physics. 139: 174318. PMID 24206309 DOI: 10.1063/1.4828458  1
2013 Urness KN, Guan Q, Golan A, Daily JW, Nimlos MR, Stanton JF, Ahmed M, Ellison GB. Pyrolysis of furan in a microreactor. The Journal of Chemical Physics. 139: 124305. PMID 24089765 DOI: 10.1063/1.4821600  1
2013 Nguyen TL, Xue BC, Ellison GB, Stanton JF. Theoretical study of reaction of ketene with water in the gas phase: formation of acetic acid? The Journal of Physical Chemistry. A. 117: 10997-1005. PMID 24087932 DOI: 10.1021/jp408337y  1
2013 Fulara J, Nagy A, Filipkowski K, Thimmakondu VS, Stanton JF, Maier JP. Electronic transitions of C6H4+ isomers: neon matrix and theoretical studies. The Journal of Physical Chemistry. A. 117: 13605-15. PMID 24074188 DOI: 10.1021/jp407566h  1
2013 Prozument K, Shaver RG, Ciuba MA, Muenter JS, Park GB, Stanton JF, Guo H, Wong BM, Perry DS, Field RW. A new approach toward transition state spectroscopy. Faraday Discussions. 163: 33-57; discussion 11. PMID 24020195 DOI: 10.1039/c3fd20160k  1
2013 Nguyen TL, Li J, Dawes R, Stanton JF, Guo H. Accurate determination of barrier height and kinetics for the F + H2O → HF + OH reaction. The Journal of Physical Chemistry. A. 117: 8864-72. PMID 23947780 DOI: 10.1021/jp4069448  1
2013 Cheng L, Gauss J, Stanton JF. Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach. The Journal of Chemical Physics. 139: 054105. PMID 23927241 DOI: 10.1063/1.4816130  1
2013 Stanton JF. Note: Is it symmetric or not? The Journal of Chemical Physics. 139: 046102. PMID 23902032 DOI: 10.1063/1.4816766  1
2013 Le A, Steimle TC, Morse MD, Garcia MA, Cheng L, Stanton JF. Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi. The Journal of Physical Chemistry. A. 117: 13292-302. PMID 23815391 DOI: 10.1021/jp404950p  1
2013 Ulusoy IS, Stanton JF, Hernandez R. Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization. The Journal of Physical Chemistry. A. 117: 7553-60. PMID 23773152 DOI: 10.1021/jp402322h  1
2013 Lee H, Baraban JH, Field RW, Stanton JF. High-accuracy estimates for the vinylidene-acetylene isomerization energy and the ground state rotational constants of :C═CH2. The Journal of Physical Chemistry. A. 117: 11679-83. PMID 23621573 DOI: 10.1021/jp400035a  1
2013 Nguyen TL, Stanton JF. Ab initio thermal rate calculations of HO + HO = O(3P) + H2O reaction and isotopologues. The Journal of Physical Chemistry. A. 117: 2678-86. PMID 23473073 DOI: 10.1021/jp312246q  1
2013 Weston RE, Nguyen TL, Stanton JF, Barker JR. HO + CO reaction rates and H/D kinetic isotope effects: master equation models with ab initio SCTST rate constants. The Journal of Physical Chemistry. A. 117: 821-35. PMID 23317151 DOI: 10.1021/jp311928w  1
2013 McCaslin L, Stanton J. Calculation of fundamental frequencies for small polyatomic molecules: A comparison between correlation consistent and atomic natural orbital basis sets Molecular Physics. 111: 1492-1496. DOI: 10.1080/00268976.2013.811303  1
2013 McCarthy MC, Cheng L, Crabtree KN, Martinez O, Nguyen TL, Womack CC, Stanton JF. The simplest criegee intermediate (H2C=O-O): Isotopic spectroscopy, equilibrium structure, and possible formation from atmospheric lightning Journal of Physical Chemistry Letters. 4: 4133-4139. DOI: 10.1021/jz4023128  1
2013 Matthews DA, Gauss J, Stanton JF. Revisitation of nonorthogonal spin adaptation in coupled cluster theory Journal of Chemical Theory and Computation. 9: 2567-2572. DOI: 10.1021/ct301024v  1
2012 Cheng L, Stopkowicz S, Stanton JF, Gauss J. The route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants. The Journal of Chemical Physics. 137: 224302. PMID 23248998 DOI: 10.1063/1.4767767  1
2012 Vasiliou AK, Piech KM, Reed B, Zhang X, Nimlos MR, Ahmed M, Golan A, Kostko O, Osborn DL, David DE, Urness KN, Daily JW, Stanton JF, Ellison GB. Thermal decomposition of CH3CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy. The Journal of Chemical Physics. 137: 164308. PMID 23126711 DOI: 10.1063/1.4759050  1
2012 Zhang X, Sander SP, Stanton JF. Detection of the far-IR ν12 bending level in propargyl: a complete set of fundamentals for an important radical. The Journal of Physical Chemistry. A. 116: 10338-43. PMID 22970766 DOI: 10.1021/jp305390p  1
2012 Nolan AM, Amberger BK, Esselman BJ, Thimmakondu VS, Stanton JF, Woods RC, McMahon RJ. Carbonyl diazide, OC(N3)2: synthesis, purification, and IR spectrum. Inorganic Chemistry. 51: 9846-51. PMID 22928580 DOI: 10.1021/ic301270b  1
2012 Tabor DP, Harding ME, Ichino T, Stanton JF. High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals. The Journal of Physical Chemistry. A. 116: 7668-76. PMID 22784201 DOI: 10.1021/jp302527n  1
2012 Reilly NJ, Kokkin DL, Zhuang X, Gupta V, Nagarajan R, Fortenberry RC, Maier JP, Steimle TC, Stanton JF, McCarthy MC. The electronic spectrum of Si3 I: triplet D(3h) system. The Journal of Chemical Physics. 136: 194307. PMID 22612095 DOI: 10.1063/1.4704672  1
2012 Stanton JF, Garand E, Kim J, Yacovitch TI, Hock C, Case AS, Miller EM, Lu YJ, Vogelhuber KM, Wren SW, Ichino T, Maier JP, McMahon RJ, Osborn DL, Neumark DM, et al. Ground and low-lying excited states of propadienylidene (H2C=C=C:) obtained by negative ion photoelectron spectroscopy. The Journal of Chemical Physics. 136: 134312. PMID 22482557 DOI: 10.1063/1.3696896  1
2012 Wren SW, Vogelhuber KM, Ichino T, Stanton JF, Lineberger WC. Photoelectron spectroscopy of anilinide and acidity of aniline. The Journal of Physical Chemistry. A. 116: 3118-23. PMID 22420311 DOI: 10.1021/jp211463r  1
2012 Barker JR, Nguyen TL, Stanton JF. Kinetic isotope effects for Cl + CH4 ⇌ HCl + CH3 calculated using ab initio semiclassical transition state theory. The Journal of Physical Chemistry. A. 116: 6408-19. PMID 22295940 DOI: 10.1021/jp212383u  1
2012 McCarthy MC, Lattanzi V, Kokkin D, Martinez O, Stanton JF. On the molecular structure of HOOO. The Journal of Chemical Physics. 136: 034303. PMID 22280756 DOI: 10.1063/1.3673875  1
2012 Pyykkö P, Stanton JF. Introduction to the quantum chemistry 2012 issue. Chemical Reviews. 112: 1-3. PMID 22236046 DOI: 10.1021/cr2004663  1
2012 Baraban JH, Stanton JF, Merer AJ, Field RW. Anharmonic force fields of cis- and trans-S1 C2H 2 Molecular Physics. 110: 2725-2733. DOI: 10.1080/00268976.2012.706328  1
2012 Sneskov K, Stanton JF. Effects of vibrational averaging on coupled cluster calculations of spin-spin coupling constants for hydrocarbons Molecular Physics. 110: 2321-2327. DOI: 10.1080/00268976.2012.678904  1
2012 Damrauer R, Stanton JF. Studies of 1,2-dihalo shifts in carbon-carbon, carbon-silicon, and silicon-silicon systems: A computational study Organometallics. 31: 8426-8436. DOI: 10.1021/om301019s  1
2012 Simmons CS, Ichino T, Stanton JF. The ν 3fundamental in NO 3has been seen near 1060 cm -1, albeit some time ago Journal of Physical Chemistry Letters. 3: 1946-1950. DOI: 10.1021/jz300721b  1
2012 Nguyen TL, Xue BC, Weston RE, Barker JR, Stanton JF. Reaction of HO with CO: Tunneling is indeed important Journal of Physical Chemistry Letters. 3: 1549-1553. DOI: 10.1021/jz300443a  1
2012 Zeng X, Beckers H, Willner H, Stanton JF. Fascinating diazirinone: A violet gas European Journal of Inorganic Chemistry. 3403-3409. DOI: 10.1002/ejic.201200337  1
2012 Daily JW, Guan Q, Stanton JF, Ellison GB, Vasiliou A. Modeling the thermal decomposition of acetaldehyde in a miniature low pressure tubular reactor Western States Section of the Combustion Institute Spring Technical Meeting 2012. 626-644.  1
2011 Vázquez J, Harding ME, Stanton JF, Gauss J. Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy. Journal of Chemical Theory and Computation. 7: 1428-1442. PMID 26610133 DOI: 10.1021/ct100711u  1
2011 Stanton JF. Quantitative vibronic coupling calculations. The visible spectrum of propadienylidene. Faraday Discussions. 150: 331-43; discussion 3. PMID 22457955 DOI: 10.1039/c0fd00029a  1
2011 Johnson CJ, Harding ME, Poad BL, Stanton JF, Continetti RE. Electron affinities, well depths, and vibrational spectroscopy of cis- and trans-HOCO. Journal of the American Chemical Society. 133: 19606-9. PMID 22053945 DOI: 10.1021/ja207724f  1
2011 Harding ME, Vázquez J, Gauss J, Stanton JF, Kállay M. Towards highly accurate ab initio thermochemistry of larger systems: benzene. The Journal of Chemical Physics. 135: 044513. PMID 21806144 DOI: 10.1063/1.3609250  1
2011 Vasiliou A, Piech KM, Zhang X, Nimlos MR, Ahmed M, Golan A, Kostko O, Osborn DL, Daily JW, Stanton JF, Ellison GB. The products of the thermal decomposition of CH3CHO. The Journal of Chemical Physics. 135: 014306. PMID 21744901 DOI: 10.1063/1.3604005  1
2011 Baraban JH, Beck AR, Steeves AH, Stanton JF, Field RW. Reduced dimension discrete variable representation study of cis-trans isomerization in the S1 state of C2H2. The Journal of Chemical Physics. 134: 244311. PMID 21721634 DOI: 10.1063/1.3570823  1
2011 Nguyen TL, Stanton JF, Barker JR. Ab initio reaction rate constants computed using semiclassical transition-state theory: HO + H2 → H2O + H and isotopologues. The Journal of Physical Chemistry. A. 115: 5118-26. PMID 21539339 DOI: 10.1021/jp2022743  1
2011 Zeng X, Beckers H, Willner H, Stanton JF. Elusive diazirinone, N2CO. Angewandte Chemie (International Ed. in English). 50: 1720-3. PMID 21308941 DOI: 10.1002/anie.201006745  1
2011 Beames JM, Lester MI, Murray C, Varner ME, Stanton JF. Analysis of the HOOO torsional potential. The Journal of Chemical Physics. 134: 044304. PMID 21280722 DOI: 10.1063/1.3518415  1
2011 Vázquez J, Harding ME, Stanton JF, Gauss J. Vibrational energy levels via finite-basis calculations using a quasi-analytic form of the kinetic energy Journal of Chemical Theory and Computation. 7: 1428-1442. DOI: 10.1021/ct100711u  1
2011 Kokkin DL, Reilly NJ, McCarthy MC, Stanton JF. Experimental and theoretical investigation of the B̃ 1A′ - X̃1A′ electronic transition of CuSH Journal of Molecular Spectroscopy. 268: 23-27. DOI: 10.1016/j.jms.2011.03.023  1
2011 Klein K, Garand E, Ichino T, Neumark DM, Gauss J, Stanton JF. Quantitative vibronic coupling calculations: The formyloxyl radical Theoretical Chemistry Accounts. 129: 527-543. DOI: 10.1007/s00214-011-0893-0  1
2010 Stanton JF. An unusually large nonadiabatic error in the BNB molecule. The Journal of Chemical Physics. 133: 174309. PMID 21054034 DOI: 10.1063/1.3505217  1
2010 Zhang X, Sander SP, Chaimowitz A, Ellison GB, Stanton JF. Detection of vibrational bending mode ν8 and overtone bands of the propargyl radical, HCCCH2 X̃ 2B1. The Journal of Physical Chemistry. A. 114: 12021-7. PMID 20973539 DOI: 10.1021/jp105605f  1
2010 Shuman NS, Johnson M, Stevens WR, Harding ME, Stanton JF, Baer T. Tunneling in a simple bond scission: the surprising Barrier in the H loss from HCOOH(+). The Journal of Physical Chemistry. A. 114: 10016-23. PMID 20738134 DOI: 10.1021/jp105724j  1
2010 Fortenberry RC, King RA, Stanton JF, Crawford TD. A benchmark study of the vertical electronic spectra of the linear chain radicals C(2)H and C(4)H. The Journal of Chemical Physics. 132: 144303. PMID 20405992 DOI: 10.1063/1.3376073  1
2010 Shaffer CJ, Esselman BJ, McMahon RJ, Stanton JF, Woods RC. Attempted isolation and characterization of diazirinone (N2CO). The Journal of Organic Chemistry. 75: 1815-21. PMID 20151692 DOI: 10.1021/jo9026462  1
2010 Jochnowitz EB, Zhang X, Nimlos MR, Flowers BA, Stanton JF, Ellison GB. Infrared spectrum of the propargyl peroxyl radical, HC[triple bond]C-CH2OO X 2A''. The Journal of Physical Chemistry. A. 114: 1498-507. PMID 20039710 DOI: 10.1021/jp907806g  1
2010 Garand E, Klein K, Stanton JF, Zhou J, Yacovitch TI, Neumark DM. Vibronic structure of the formyloxyl radical (HCO2) via slow photoelectron velocity-map imaging spectroscopy and model Hamiltonian calculations. The Journal of Physical Chemistry. A. 114: 1374-83. PMID 19736951 DOI: 10.1021/jp9067894  1
2010 Puzzarini C, Stanton JF, Gauss J. Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy International Reviews in Physical Chemistry. 29: 273-367. DOI: 10.1080/01442351003643401  1
2010 Nguyen TL, Stanton JF, Barker JR. A practical implementation of semi-classical transition state theory for polyatomics Chemical Physics Letters. 499: 9-15. DOI: 10.1016/j.cplett.2010.09.015  1
2010 Pabst M, Köhn A, Gauss J, Stanton JF. A worrisome failure of the CC2 coupled-cluster method when applied to ozone Chemical Physics Letters. 495: 135-140. DOI: 10.1016/j.cplett.2010.06.023  1
2009 Varner ME, Harding ME, Vázquez J, Gauss J, Stanton JF. Dissociation energy of the HOOO radical. The Journal of Physical Chemistry. A. 113: 11238-41. PMID 19785472 DOI: 10.1021/jp907262s  1
2009 Manohar PU, Stanton JF, Krylov AI. Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples. The Journal of Chemical Physics. 131: 114112. PMID 19778105 DOI: 10.1063/1.3231133  1
2009 Vázquez J, Harding ME, Gauss J, Stanton JF. High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes. The Journal of Physical Chemistry. A. 113: 12447-53. PMID 19583197 DOI: 10.1021/jp9029908  1
2009 Stanton JF, Okumura M. On the vibronic level structure in the NO3 radical. Part III. Observation of intensity borrowing via ground state mixing. Physical Chemistry Chemical Physics : Pccp. 11: 4742-4. PMID 19492127 DOI: 10.1039/b902252j  1
2009 Ichino T, Gauss J, Stanton JF. Quasidiabatic states described by coupled-cluster theory. The Journal of Chemical Physics. 130: 174105. PMID 19425767 DOI: 10.1063/1.3127246  1
2009 Hobson SL, Valeev EF, Csaszar AG, Stanton JF. Is the adiabatic approximation sufficient to account for the post-Born-Oppenheimer effects on molecular electric dipole moments? Molecular Physics. 107: 1153-1159. DOI: 10.1080/00268970902780262  1
2009 Matthews DA, Stanton JF. Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections Molecular Physics. 107: 213-222. DOI: 10.1080/00268970902769463  1
2008 Ichino T, Wren SW, Vogelhuber KM, Gianola AJ, Lineberger WC, Stanton JF. The vibronic level structure of the cyclopentadienyl radical. The Journal of Chemical Physics. 129: 084310. PMID 19044826 DOI: 10.1063/1.2973631  1
2008 Kummli DS, Lobsiger S, Frey HM, Leutwyler S, Stanton JF. Accurate determination of the structure of cyclooctatetraene by femtosecond rotational coherence spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 112: 9134-43. PMID 18754607 DOI: 10.1021/jp803523y  1
2008 Schneider H, Vogelhuber KM, Schinle F, Stanton JF, Weber JM. Vibrational spectroscopy of nitroalkane chains using electron autodetachment and ar predissociation. The Journal of Physical Chemistry. A. 112: 7498-506. PMID 18661964 DOI: 10.1021/jp800124s  1
2008 Solomonik VG, Stanton JF, Boggs JE. Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods. The Journal of Chemical Physics. 128: 244104. PMID 18601314 DOI: 10.1063/1.2939574  1
2008 Kjaergaard HG, Garden AL, Chaban GM, Gerber RB, Matthews DA, Stanton JF. Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches. The Journal of Physical Chemistry. A. 112: 4324-35. PMID 18407701 DOI: 10.1021/jp710066f  0.52
2008 Harding ME, Vázquez J, Ruscic B, Wilson AK, Gauss J, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview. The Journal of Chemical Physics. 128: 114111. PMID 18361558 DOI: 10.1063/1.2835612  1
2008 Stanton JF, Flowers BA, Matthews DA, Ware AF, Ellison GB. Gas-phase infrared spectrum of methyl nitrate Journal of Molecular Spectroscopy. 251: 384-393. DOI: 10.1016/j.jms.2008.03.026  1
2008 Varner ME, Harding ME, Gauss J, Stanton JF. On the geometry of the HO3 radical Chemical Physics. 346: 53-55. DOI: 10.1016/j.chemphys.2008.02.001  1
2007 Cortez MH, Brinkmann NR, Polik WF, Taylor PR, Bomble YJ, Stanton JF. Factors Contributing to the Accuracy of Harmonic Force Field Calculations for Water. Journal of Chemical Theory and Computation. 3: 1267-74. PMID 26633200 DOI: 10.1021/ct600347e  1
2007 Flowers BA, Stanton JF, Simpson WR. Wavelength dependence of nitrate radical quantum yield from peroxyacetyl nitrate photolysis: experimental and theoretical studies. The Journal of Physical Chemistry. A. 111: 11602-7. PMID 17958340 DOI: 10.1021/jp0749118  1
2007 Thom RL, Wong BM, Field RW, Stanton JF. Studies of intersystem crossing dynamics in acetylene. The Journal of Chemical Physics. 126: 184307. PMID 17508803 DOI: 10.1063/1.2730832  1
2007 Zhang X, Nimlos MR, Ellison GB, Varner ME, Stanton JF. Vibrational overtone spectrum of matrix isolated cis, cis-HOONO. The Journal of Chemical Physics. 126: 174308. PMID 17492864 DOI: 10.1063/1.2720392  1
2007 Stanton JF. On the vibronic level structure in the NO3 radical. I. The ground electronic state. The Journal of Chemical Physics. 126: 134309. PMID 17430034 DOI: 10.1063/1.2715547  1
2007 Wheeler SE, Robertson KA, Allen WD, Schaefer HF, Bomble YJ, Stanton JF. Thermochemistry of key soot formation intermediates: C3H3 isomers. The Journal of Physical Chemistry. A. 111: 3819-30. PMID 17402717 DOI: 10.1021/jp0684630  1
2007 Garcia-Fernandez P, Boggs JE, Stanton JF. Ab initio simulation of the vibrationally resolved photoelectron spectrum of Si3-. The Journal of Chemical Physics. 126: 074305. PMID 17328603 DOI: 10.1063/1.2472329  1
2007 Matthews DA, Vazquez J, Stanton JF. Calculated stretching overtone levels and Darling-Dennison resonances in water: A triumph of simple theoretical approaches Molecular Physics. 105: 2659-2666. DOI: 10.1080/00268970701618424  1
2007 Vázquez J, Stanton JF. Treatment of Fermi resonance effects on transition moments in vibrational perturbation theory Molecular Physics. 105: 101-109. DOI: 10.1080/00268970601135784  1
2007 Stanton JF. Equilibrium structure of the silicon trimer Acs Symposium Series. 958: 193-200.  1
2006 Gauss J, Tajti A, Kállay M, Stanton JF, Szalay PG. Analytic calculation of the diagonal Born-Oppenheimer correction within configuration-interaction and coupled-cluster theory. The Journal of Chemical Physics. 125: 144111. PMID 17042583 DOI: 10.1063/1.2356465  1
2006 Ichino T, Gianola AJ, Lineberger WC, Stanton JF. Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion: three-state interactions in the pyrazolyl-d3 radical. The Journal of Chemical Physics. 125: 084312. PMID 16965017 DOI: 10.1063/1.2338043  1
2006 Konen IM, Li EX, Lester MI, Vázquez J, Stanton JF. Infrared overtone spectroscopy and vibrational analysis of a Fermi resonance in nitric acid: Experiment and theory. The Journal of Chemical Physics. 125: 074310. PMID 16942342 DOI: 10.1063/1.2234772  1
2006 Bomble YJ, Vázquez J, Kállay M, Michauk C, Szalay PG, Császár AG, Gauss J, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification. The Journal of Chemical Physics. 125: 64108. PMID 16942274 DOI: 10.1063/1.2206789  1
2006 Houk RJ, Anslyn EV, Stanton JF. Carbonyl coordination chemistry from a new angle: a computational study of alpha-carbon acidity based on electrophile coordination geometry. Organic Letters. 8: 3461-3. PMID 16869635 DOI: 10.1021/ol061055u  1
2006 Tasi G, Izsák R, Matisz G, Császár AG, Kállay M, Ruscic B, Stanton JF. The origin of systematic error in the standard enthalpies of formation of hydrocarbons computed via atomization schemes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1664-7. PMID 16841354 DOI: 10.1002/cphc.200600224  1
2006 Feierabend KJ, Havey DK, Varner ME, Stanton JF, Vaida V. A comparison of experimental and calculated spectra of HNO3 in the near-infrared using Fourier transform infrared spectroscopy and vibrational perturbation theory. The Journal of Chemical Physics. 124: 124323. PMID 16599690 DOI: 10.1063/1.2180248  1
2006 Bowling NP, Halter RJ, Hodges JA, Seburg RA, Thomas PS, Simmons CS, Stanton JF, McMahon RJ. Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H). Journal of the American Chemical Society. 128: 3291-302. PMID 16522111 DOI: 10.1021/ja058252t  1
2006 Zhang X, Nimlos MR, Ellison GB, Varner ME, Stanton JF. Infrared absorption spectra of matrix-isolated cis, cis-HOONO and its ab initio CCSD(T) anharmonic vibrational bands. The Journal of Chemical Physics. 124: 084305. PMID 16512714 DOI: 10.1063/1.2163343  1
2006 Okumura M, Stanton JF, Deev A, Sommar J. New insights into the Jahn-Teller effect in NO3 via the dark à 2E″ state Physica Scripta. 73: C64-C70. DOI: 10.1088/0031-8949/73/1/N12  1
2006 Vázquez J, Stanton JF. Simple(r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory Molecular Physics. 104: 377-388. DOI: 10.1080/00268970500290367  1
2006 Hansen JC, Flowers BA, Stanton JF. Computational study of the vibrational and electronic spectroscopy of a HO2-H2O2 complex Journal of Molecular Structure: Theochem. 768: 111-118. DOI: 10.1016/j.theochem.2006.05.045  1
2005 Jochnowitz EB, Zhang X, Nimlos MR, Varner ME, Stanton JF, Ellison GB. Propargyl radical: ab initio anharmonic modes and the polarized infrared absorption spectra of matrix-isolated HCCCH2. The Journal of Physical Chemistry. A. 109: 3812-21. PMID 16833697 DOI: 10.1021/jp040719j  1
2005 Thorwirth S, McCarthy MC, Gottlieb CA, Thaddeus P, Gupta H, Stanton JF. Rotational spectroscopy and equilibrium structures of S3 and S4. The Journal of Chemical Physics. 123: 054326. PMID 16108658 DOI: 10.1063/1.1942495  1
2005 Bomble YJ, Stanton JF, Kállay M, Gauss J. Coupled-cluster methods including noniterative corrections for quadruple excitations. The Journal of Chemical Physics. 123: 054101. PMID 16108625 DOI: 10.1063/1.1950567  1
2005 Bomble YJ, Saeh JC, Stanton JF, Szalay PG, Kállay M, Gauss J. Equation-of-motion coupled-cluster methods for ionized states with an approximate treatment of triple excitations. The Journal of Chemical Physics. 122: 154107. PMID 15945625 DOI: 10.1063/1.1884600  1
2005 Stanton JF, Dudek J, Theulé P, Gupta H, McCarthy MC, Thaddeus P. Laser spectroscopy of Si3C. The Journal of Chemical Physics. 122: 124314. PMID 15836385 DOI: 10.1063/1.1869981  1
2005 Solomonik VG, Stanton JF, Boggs JE. Approaching the basis set limit for transition metal compounds with highly polar bonds: a benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra. The Journal of Chemical Physics. 122: 094322. PMID 15836143 DOI: 10.1063/1.1853376  1
2005 Konen IM, Pollack IB, Li EX, Lester MI, Varner ME, Stanton JF. Infrared overtone spectroscopy and unimolecular decay dynamics of peroxynitrous acid. The Journal of Chemical Physics. 122: 094320. PMID 15836141 DOI: 10.1063/1.1854094  1
2005 Szalay PG, Tajti A, Stanton JF. Ab initio determination of the heat of formation of ketenyl (HCCO) and ethynyl (CCH) radicals Molecular Physics. 103: 2159-2168. DOI: 10.1080/00268970500131124  1
2005 Ruscic B, Boggs JE, Burcat A, Császár AG, Demaison J, Janoschek R, Martin JML, Morton ML, Rossi MJ, Stanton JF, Szalay PG, Westmoreland PR, Zabel F, Bérces T. IUPAC critical evaluation of thermochemical properties of selected radicals. Part I Journal of Physical and Chemical Reference Data. 34: 573-588. DOI: 10.1063/1.1724828  1
2004 Tajti A, Szalay PG, Császár AG, Kállay M, Gauss J, Valeev EF, Flowers BA, Vázquez J, Stanton JF. HEAT: High accuracy extrapolated ab initio thermochemistry. The Journal of Chemical Physics. 121: 11599-613. PMID 15634125 DOI: 10.1063/1.1811608  1
2004 Szalay PG, Vázquez J, Simmons C, Stanton JF. Triplet instability in doublet systems. The Journal of Chemical Physics. 121: 7624-31. PMID 15485222 DOI: 10.1063/1.1795153  1
2004 Bomble YJ, Sattelmeyer KW, Stanton JF, Gauss J. On the vertical excitation energy of cyclopentadiene. The Journal of Chemical Physics. 121: 5236-40. PMID 15352816 DOI: 10.1063/1.1780159  1
2004 Hennrich G, David WM, Bomble YJ, Anslyn EV, Brodbelt JS, Stanton JF. Self-assembling dimeric and trimeric aggregates based on solvophobic and charge-pairing interactions Supramolecular Chemistry. 16: 521-528. DOI: 10.1080/10610270412331295995  1
2004 Ellison GB, Herbert JM, McCoy AB, Stanton JF, Szalay PG. Unimolecular rearrangement of trans-FONO to FNO 2. A possible model system for atmospheric nitrate formation Journal of Physical Chemistry A. 108: 7639-7642. DOI: 10.1021/jp047220+  1
2004 Flowers BA, Szalay PG, Stanton JF, Kállay M, Gauss J, Császár AG. Benchmark Thermochemistry of the Hydroperoxyl Radical Journal of Physical Chemistry A. 108: 3195-3199. DOI: 10.1021/jp037347j  1
2003 McMahon RJ, McCarthy MC, Gottlieb CA, Dudek JB, Stanton JF, Thaddeus P. The radio spectrum of the phenyl radical Astrophysical Journal. 590: L61-L64. DOI: 10.1086/376587  1
2003 Merer AJ, Yamakita N, Tsuchiya S, Stanton JF, Duan Z, Field RW. New vibrational assignments in the Ã1 Au-X̃ 1Σg + electronic transition of acetylene, C2H2: The v′1 frequency Molecular Physics. 101: 663-673. DOI: 10.1080/0026897021000023640  1
2003 Auer A, Gauss J, Stanton JF. Quantitative prediction of gas-phase 13C nuclear magnetic shielding constants Journal of Chemical Physics. 118: 10407-10417. DOI: 10.1063/1.1574314  1
2003 Sattelmeyer KW, Schaefer HF, Stanton JF. Use of 2h and 3h - p-like coupled-cluster Tamm-Dancoff approaches for the equilibrium properties of ozone Chemical Physics Letters. 378: 42-46. DOI: 10.1016/S0009-2614(03)01181-3  1
2003 Stanton JF, Gauss J. A discussion of some problems associated with the quantum mechanical treatment of open-shell molecules Advances in Chemical Physics. 125: 101-146.  1
2002 Price DR, Stanton JF. Computational study of [10]annulene NMR spectra. Organic Letters. 4: 2809-11. PMID 12182561 DOI: 10.1021/ol0200450  1
2002 Dolbier WR, Shelton GR, Battiste MA, Stanton JF, Price DR. Computational discovery of a novel automerization process for 1-fluorocyclopropene. Organic Letters. 4: 233-5. PMID 11796058 DOI: 10.1021/ol0169574  1
2002 Sattelmeyer KW, Schaefer HF, Stanton JF. The global minimum structure of SiC3: The controversy continues Journal of Chemical Physics. 116: 9151-9153. DOI: 10.1063/1.1480868  1
2002 Pawowski F, Jørgensen P, Olsen J, Hegelund F, Helgaker T, Gauss J, Bak KL, Stanton JF. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants Journal of Chemical Physics. 116: 6482-6496. DOI: 10.1063/1.1459782  1
2002 Gauss J, Stanton JF. Analytic gradients for the couples-cluster singles, doubles, and triples (CCSDT) model Journal of Chemical Physics. 116: 1773-1782. DOI: 10.1063/1.1429244  1
2002 Matzger AJ, Lewis KD, Nathan CE, Peebles SA, Peebles RA, Kuczkowski RL, Stanton JF, Oh JJ. Structures of diethynyl sulfide and bis(phenylethynyl) sulfide Journal of Physical Chemistry A. 106: 12110-12116. DOI: 10.1021/jp021767b  1
2002 Vázquez J, Stanton JF. Theoretical investigation of the structure and vibrational spectrum of the electronic ground state X̃(1A′) of HSiCl Journal of Physical Chemistry A. 106: 4429-4434. DOI: 10.1021/jp013761c  1
2002 Gauss J, Stanton JF. Electron-correlated approaches for the calculation of nmr chemical shifts Advances in Chemical Physics. 123: 355-422.  1
2001 Halter RJ, Fimmen RL, McMahon RJ, Peebles SA, Kuczkowski RL, Stanton JF. Microwave spectra and molecular structures of (Z)-pent-2-en-4-ynenitrile and maleonitrile. Journal of the American Chemical Society. 123: 12353-63. PMID 11734037 DOI: 10.1021/ja011195t  1
2001 Stanton JF. Coupled-cluster theory, pseudo-Jahn-Teller effects and conical intersections Journal of Chemical Physics. 115: 10382-10393. DOI: 10.1063/1.1416176  1
2001 Stanton JF, Sattelmeyer KW, Gauss J, Allan M, Skalicky T, Bally T. On the photoelectron spectrum of p-benzoquinone Journal of Chemical Physics. 115: 1-4. DOI: 10.1063/1.1381575  1
2001 Crawford TD, Kraka E, Stanton JF, Cremer D. Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry Journal of Chemical Physics. 114: 10638-10650. DOI: 10.1063/1.1373433  1
2001 Sattelmeyer KW, Schaefer HF, Stanton JF. The equilibrium structure of the ammonium radical Rydberg ground state Journal of Chemical Physics. 114: 9863-9865. DOI: 10.1063/1.1371259  1
2001 Bak KL, Gauss J, Jørgensen P, Olsen J, Helgaker T, Stanton JF. The accurate determination of molecular equilibrium structures Journal of Chemical Physics. 114: 6548-6556. DOI: 10.1063/1.1357225  1
2001 Stanton JF, Gauss J, Christiansen O. Equilibrium geometries of cyclic SiC3 isomers Journal of Chemical Physics. 114: 2993-2995. DOI: 10.1063/1.1327270  1
2001 Sattelmeyer KW, Stanton JF, Olsen J, Gauss J. A comparison of excited state properties for iterative approximate triples linear response coupled cluster methods Chemical Physics Letters. 347: 499-504. DOI: 10.1016/S0009-2614(01)01013-2  1
2000 Gauss J, Stanton JF. Analytic first and second derivatives for the CCSDT-n (n = 1-3) models: A first step towards the efficient calculation of CCSDT properties Physical Chemistry Chemical Physics. 2: 2047-2060. DOI: 10.1039/a909820h  1
2000 Sattelmeyer KW, Stanton JF. Computational studies of C6H2 isomers Journal of the American Chemical Society. 122: 8220-8227. DOI: 10.1021/ja9940874  1
2000 Hodges JA, McMahon RJ, Sattelmeyer KW, Stanton JF. Electronic spectrum of propadienylidene (H2C=C=C:) and its relevance to the diffuse interstellar bands Astrophysical Journal. 544: 838-842.  1
2000 Williams S, Harding LB, Stanton JF, Weisshaar JC. Barrier to methyl internal rotation of 1-methylvinoxy radical in the X̃(2A″) and B̃(2A″) states: Experiment and theory Journal of Physical Chemistry A. 104: 10131-10138.  1
2000 Williams S, Harding LB, Stanton JF, Weisshaar JC. Barrier to methyl internal rotation of cis- and trans-2-methylvinoxy radicals in the X̃(2A″) and B̃(2A″) states: Experiment and theory Journal of Physical Chemistry A. 104: 9906-9913.  1
2000 Crawford TD, Stanton JF. Some surprising failures of Brueckner coupled cluster theory Journal of Chemical Physics. 112: 7873-7879.  1
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