| Year |
Citation |
Score |
| 2019 |
Ibrahim A, Wang L, Halverson T, Le Roy RJ, Roy PN. Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen. The Journal of Chemical Physics. 151: 244501. PMID 31893865 DOI: 10.1063/1.5131329 |
0.333 |
|
| 2015 |
Schmidt M, Fernández JM, Faruk NF, Nooijen M, Le Roy RJ, Morilla JH, Tejeda G, Montero S, Roy PN. Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues. The Journal of Physical Chemistry. A. PMID 26517305 DOI: 10.1021/Acs.Jpca.5B08852 |
0.305 |
|
| 2015 |
Walji SD, Sentjens KM, Le Roy RJ. Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH. The Journal of Chemical Physics. 142: 044305. PMID 25637985 DOI: 10.1063/1.4906086 |
0.384 |
|
| 2014 |
Faruk N, Schmidt M, Li H, Le Roy RJ, Roy PN. First-principles prediction of the Raman shifts in parahydrogen clusters. The Journal of Chemical Physics. 141: 014310. PMID 25005292 DOI: 10.1063/1.4885275 |
0.477 |
|
| 2013 |
Li H, Zhang XL, Le Roy RJ, Roy PN. Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters. The Journal of Chemical Physics. 139: 164315. PMID 24182037 DOI: 10.1063/1.4826595 |
0.457 |
|
| 2013 |
Henderson RD, Shayesteh A, Tao J, Haugen CC, Bernath PF, Le Roy RJ. Accurate analytic potential and Born-Oppenheimer breakdown functions for MgH and MgD from a direct-potential-fit data analysis. The Journal of Physical Chemistry. A. 117: 13373-87. PMID 24093511 DOI: 10.1021/Jp406680R |
0.377 |
|
| 2013 |
Wang L, Xie D, Le Roy RJ, Roy PN. A new six-dimensional potential energy surface for H2-N2O and its adiabatic-hindered-rotor treatment. The Journal of Chemical Physics. 139: 034312. PMID 23883032 DOI: 10.1063/1.4813527 |
0.601 |
|
| 2013 |
Tritzant-Martinez Y, Zeng T, Broom A, Meiering E, Le Roy RJ, Roy PN. On the analytical representation of free energy profiles with a Morse/long-range model: application to the water dimer. The Journal of Chemical Physics. 138: 234103. PMID 23802947 DOI: 10.1063/1.4810006 |
0.334 |
|
| 2013 |
Li G, Gordon IE, Le Roy RJ, Hajigeorgiou PG, Coxon JA, Bernath PF, Rothman LS. Reference spectroscopic data for hydrogen halides. Part I: Construction and validation of the ro-vibrational dipole moment functions Journal of Quantitative Spectroscopy and Radiative Transfer. 121: 78-90. DOI: 10.1016/J.Jqsrt.2013.02.005 |
0.318 |
|
| 2012 |
Wang L, Xie D, Le Roy RJ, Roy PN. A new four-dimensional ab initio potential energy surface for N2O-He and vibrational band origin shifts for the N2O-He(N) clusters with N = 1-40. The Journal of Chemical Physics. 137: 104311. PMID 22979863 DOI: 10.1063/1.4749248 |
0.602 |
|
| 2011 |
Le Roy RJ, Haugen CC, Tao J, Li H. Long-range damping functions improve the short-range behaviour of 'MLR' potential energy functions Molecular Physics. 109: 435-446. DOI: 10.1080/00268976.2010.527304 |
0.355 |
|
| 2011 |
Dattani NS, Le Roy RJ. A DPF data analysis yields accurate analytic potentials for Li 2(a 3Σ u + and Li 2(1 3Σ g + that incorporate 3-state mixing near the 1 3Σ g + state asymptote Journal of Molecular Spectroscopy. 268: 199-210. DOI: 10.1016/j.jms.2011.03.030 |
0.596 |
|
| 2011 |
Wang L, Xie D, Guo H, Li H, Le Roy RJ, Roy PN. Superfluid response of 4HeN-N2O clusters probed by path integral Monte Carlo simulations Journal of Molecular Spectroscopy. 267: 136-143. DOI: 10.1016/J.Jms.2011.03.007 |
0.526 |
|
| 2010 |
Li H, Roy PN, Le Roy RJ. An "adiabatic-hindered-rotor" treatment allows para-H(2) to be treated as if it were spherical. The Journal of Chemical Physics. 133: 104305. PMID 20849170 DOI: 10.1063/1.3476465 |
0.323 |
|
| 2010 |
Li H, Roy PN, Le Roy RJ. Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2. The Journal of Chemical Physics. 132: 214309. PMID 20528024 DOI: 10.1063/1.3428619 |
0.445 |
|
| 2010 |
Li H, Liu Y, Jäger W, Le Roy RJ, Roy PN. Theoretical study of the microwave spectrum of isotopologues of OCS-(He)2 Canadian Journal of Chemistry. 88: 1146-1153. DOI: 10.1139/V10-116 |
0.389 |
|
| 2010 |
Piticco L, Merkt F, Cholewinski AA, McCourt FRW, Le Roy RJ. Rovibrational structure and potential energy function of the X0+ ground electronic state of ArXe Journal of Molecular Spectroscopy. 264: 83-93. DOI: 10.1016/J.Jms.2010.08.007 |
0.33 |
|
| 2009 |
Le Roy RJ, Dattani NS, Coxon JA, Ross AJ, Crozet P, Linton C. Accurate analytic potentials for Li(2)(X (1)Sigma(g) (+)) and Li(2)(A (1)Sigma(u) (+)) from 2 to 90 A, and the radiative lifetime of Li(2p). The Journal of Chemical Physics. 131: 204309. PMID 19947682 DOI: 10.1063/1.3264688 |
0.628 |
|
| 2009 |
Li H, Le Roy RJ, McCourt FR. Predicted bound states and microwave spectrum of N2-He van der Waals complexes. The Journal of Chemical Physics. 130: 244503. PMID 19566162 DOI: 10.1063/1.3157776 |
0.63 |
|
| 2009 |
Li H, Blinov N, Roy PN, Le Roy RJ. Path-integral Monte Carlo simulation of nu3 vibrational shifts for CO2 in (He)n clusters critically tests the He-CO2 potential energy surface. The Journal of Chemical Physics. 130: 144305. PMID 19368443 DOI: 10.1063/1.3109897 |
0.379 |
|
| 2008 |
Li H, Hirano T, Amano T, Le Roy RJ. Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC+. The Journal of Chemical Physics. 129: 244306. PMID 19123506 DOI: 10.1063/1.3041494 |
0.386 |
|
| 2008 |
Li H, Le Roy RJ. Analytic three-dimensional 'MLR' potential energy surface for CO(2)-He, and its predicted microwave and infrared spectra. Physical Chemistry Chemical Physics : Pccp. 10: 4128-37. PMID 18612516 DOI: 10.1039/B800718G |
0.478 |
|
| 2007 |
Shayesteh A, Henderson RD, Le Roy RJ, Bernath PF. Ground state potential energy curve and dissociation energy of MgH. The Journal of Physical Chemistry. A. 111: 12495-505. PMID 18020428 DOI: 10.1021/Jp075704A |
0.396 |
|
| 2007 |
Li H, Le Roy RJ. Quadrupole moment function and absolute infrared quadrupolar intensities for N2. The Journal of Chemical Physics. 126: 224301. PMID 17581048 DOI: 10.1063/1.2739524 |
0.416 |
|
| 2007 |
Li H, Le Roy RJ. Spectroscopic properties of MgH2, MgD2, and MgHD calculated from a new ab initio potential energy surface. The Journal of Physical Chemistry. A. 111: 6248-55. PMID 17580839 DOI: 10.1021/Jp072510M |
0.47 |
|
| 2007 |
Salami H, Ross AJ, Crozet P, Jastrzebski W, Kowalczyk P, Le Roy RJ. A full analytic potential energy curve for the a 3 Sigma+ state of KLi from a limited vibrational data set. The Journal of Chemical Physics. 126: 194313. PMID 17523810 DOI: 10.1063/1.2734973 |
0.336 |
|
| 2006 |
Le Roy RJ, Huang Y, Jary C. An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data. The Journal of Chemical Physics. 125: 164310. PMID 17092076 DOI: 10.1063/1.2354502 |
0.348 |
|
| 2006 |
Li H, Le Roy RJ. An accurate ab initio potential energy surface and calculated spectroscopic constants for BeH2, BeD2, and BeHD. The Journal of Chemical Physics. 125: 44307. PMID 16942142 DOI: 10.1063/1.2212933 |
0.483 |
|
| 2006 |
Shayesteh A, Le Roy RJ, Varberg TD, Bernath PF. Multi-isotopologue analyses of new vibration-rotation and pure rotation spectra of ZnH and CdH Journal of Molecular Spectroscopy. 237: 87-96. DOI: 10.1016/J.Jms.2006.03.004 |
0.31 |
|
| 2005 |
Le Roy RJ, Appadoo DR, Anderson K, Shayesteh A, Gordon IE, Bernath PF. Direct-potential-fit analysis of new infrared and UV/visible A 1Sigma+-X 1Sigma+ emission spectra of AgH and AgD. The Journal of Chemical Physics. 123: 204304. PMID 16351253 DOI: 10.1063/1.2064947 |
0.309 |
|
| 2005 |
Wei H, Le Roy RJ, Wheatley R, Meath WJ. A reliable new three-dimensional potential energy surface for H(2)-Kr. The Journal of Chemical Physics. 122: 84321. PMID 15836053 DOI: 10.1063/1.1850462 |
0.398 |
|
| 2004 |
Camden JP, Bechtel HA, Brown DJA, Pomerantz AE, Zare RN, Le Roy RJ. Probing excited electronic states using vibrationally mediated photolysis: Application to hydrogen iodide Journal of Physical Chemistry A. 108: 7806-7813. DOI: 10.1021/Jp049051Z |
0.323 |
|
| 2003 |
Huang Y, Le Roy RJ. Potential energy, doubling and Born-Oppenheimer breakdown functions for the B1πu "barrier" state of Li2 Journal of Chemical Physics. 119: 7398-7416. DOI: 10.1063/1.1607313 |
0.324 |
|
| 2003 |
Skelton RH, Li H, Boone CD, Le Roy RJ, Bernath PF, Focsa C, Pinchemel B. Fourier transform spectroscopy of chemiluminescence from the A′1Π-X1Σ+ system of SrO Journal of Molecular Spectroscopy. 219: 1-12. DOI: 10.1016/S0022-2852(03)00006-7 |
0.305 |
|
| 2002 |
Le Roy RJ, Kraemer GT, Manzhos S. 1 potential, 2 potentials, 3 potentials-4: Untangling the UV photodissociation spectra of HI and DI Journal of Chemical Physics. 117: 9353-9369. DOI: 10.1063/1.1513303 |
0.358 |
|
| 2002 |
Waldron L, Liu WK, Le Roy RJ. Collisional broadening and shifting of Raman lines, and the potential energy surface for H2-Ar Journal of Molecular Structure: Theochem. 591: 245-253. DOI: 10.1016/S0166-1280(02)00245-2 |
0.401 |
|
| 2000 |
Wang F, McCourt FRW, Le Roy RJ. Dipole moment surfaces and the mid- and far-IR spectra of N2-Ar Journal of Chemical Physics. 113: 98-106. DOI: 10.1063/1.481778 |
0.446 |
|
| 1996 |
Thachuk M, Chuaqui CE, Le Roy RJ. Linewidths and shifts of very low temperature CO in He: A challenge for theory or experiment? Journal of Chemical Physics. 105: 4005-4014. DOI: 10.1063/1.472274 |
0.65 |
|
| 1996 |
Bissonnette C, Chuaqui CE, Crowell KG, Le Roy RJ, Wheatley RJ, Meath WJ. A reliable new potential energy surface for H2-Ar Journal of Chemical Physics. 105: 2639-2653. DOI: 10.1063/1.472127 |
0.685 |
|
| 1994 |
Chuaqui CE, Le Roy RJ, McKellar ARW. Infrared spectrum and potential energy surface of He-CO The Journal of Chemical Physics. 101: 39-61. DOI: 10.1063/1.468147 |
0.69 |
|
| 1992 |
Slee T, Le Roy RJ, Chuaqui CE. Calculated rovibrational energy levels and infrared spectrum of he–c2h2 Molecular Physics. 77: 111-134. DOI: 10.1080/00268979200102341 |
0.698 |
|
| 1986 |
Le Roy RJ, Hutson JM. Improved potential energy surfaces for the interaction of H2 with Ar, Kr, and Xe The Journal of Chemical Physics. 86: 837-853. |
0.305 |
|
| 1982 |
Le Roy RJ, Corey GC, Hutson JM. Predissociation of weak-anisotropy Van der Waals molecules: Theory, approximations and practical predictions Faraday Discussions of the Chemical Society. 73: 339-355. DOI: 10.1039/Dc9827300339 |
0.562 |
|
| 1976 |
Le Roy RJ. Determining potential energy constants for atom- and molecule-surface interactions Surface Science. 59: 541-553. DOI: 10.1016/0039-6028(76)90033-9 |
0.303 |
|
| 1974 |
Le Roy RJ, Klein ML, McGee IJ. On the dissociation energy and interaction potential of ground-state Ne2 Molecular Physics. 28: 587-591. |
0.311 |
|
| 1971 |
Le Roy RJ, Bernstein RB. Shape resonances and rotationally predissociating levels: The atomic collision time-delay functions and quasibound level properties of H 2(X 1∑g +) The Journal of Chemical Physics. 54: 5114-5126. DOI: 10.1063/1.1674805 |
0.521 |
|
| 1971 |
Le Roy RJ, Bernstein RB. Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: The halogens Journal of Molecular Spectroscopy. 37: 109-130. DOI: 10.1016/0022-2852(71)90046-4 |
0.532 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 1974 |
Verma RD, Le Roy RJ. Comment on the uv resonance spectrum and ground-state dissociation energy of i2 The Journal of Chemical Physics. 61: 438. |
0.298 |
|
| 2013 |
Yukiya T, Nishimiya N, Samejima Y, Yamaguchi K, Suzuki M, Boone CD, Ozier I, Le Roy RJ. Direct-potential-fit analysis for the A 3 Π1 u s(-) X 1 Σg + system of Br2 Journal of Molecular Spectroscopy. DOI: 10.1016/J.Jms.2012.12.006 |
0.292 |
|
| 2016 |
Cho YS, Le Roy RJ. Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis. The Journal of Chemical Physics. 144: 024311. PMID 26772575 DOI: 10.1063/1.4939274 |
0.289 |
|
| 2006 |
Nooijen M, Le Roy RJ. Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction Journal of Molecular Structure: Theochem. 768: 25-43. DOI: 10.1016/J.Theochem.2006.05.017 |
0.288 |
|
| 1996 |
Wang F, Mccourt FRW, Le Roy RJ. Use of simulated infrared spectra to test N2-Ar pair potentials and dipole moment surfaces Molecular Physics. 88: 821-840. |
0.285 |
|
| 1978 |
Le Roy RJ, Liu WK. Energies and widths of quasibound levels (orbiting resonances) for spherical potentials The Journal of Chemical Physics. 69: 3622-3631. |
0.278 |
|
| 2006 |
Gordon IE, Le Roy RJ, Bernath PF. Near infrared emission spectra of CoH and CoD Journal of Molecular Spectroscopy. 237: 11-18. DOI: 10.1016/J.Jms.2006.02.011 |
0.276 |
|
| 2002 |
Wang X, Magnes J, Lyyra AM, Ross AJ, Martin F, Dove PM, Le Roy RJ. Born-Oppenheimer breakdown in a combined-isotopomer analysis of the A 1∑u + - X1∑g + system of Li2 Journal of Chemical Physics. 117: 9339-9346. DOI: 10.1063/1.1514670 |
0.271 |
|
| 2011 |
Li H, McKellar AR, Le Roy RJ, Roy PN. Theoretical and experimental study of weakly bound CO2-(pH2)2 trimers. The Journal of Physical Chemistry. A. 115: 7327-37. PMID 21627164 DOI: 10.1021/Jp200810F |
0.268 |
|
| 2006 |
Le Roy RJ, Appadoo DRT, Colin R, Bernath PF. On the X2Σ+, A2Π, and C2Σ+ states of BeH, BeD, and BeT Journal of Molecular Spectroscopy. 236: 178-188. DOI: 10.1016/J.Jms.2006.01.010 |
0.266 |
|
| 1980 |
Le Roy RJ, Lam WH. Near-dissociation expansions in the spectroscopic determination of diatom dissociation energies: method, and application to BeAr+ Chemical Physics Letters. 71: 544-548. DOI: 10.1016/0009-2614(80)80221-1 |
0.266 |
|
| 2004 |
Adohi-Krou A, Martin F, Ross AJ, Linton C, Le Roy RJ. Isotope effects and Born-Oppenheimer breakdown in excited singlet states of the lithium dimer. The Journal of Chemical Physics. 121: 6309-16. PMID 15446926 DOI: 10.1063/1.1786920 |
0.262 |
|
| 2000 |
Seto JY, Le Roy RJ, Vergès J, Amiot C. Direct potential fit analysis of the X1Σg + state of Rb2: Nothing else will do! Journal of Chemical Physics. 113: 3067-3076. |
0.258 |
|
| 2004 |
Shayesteh A, Appadoo DR, Gordon I, Le Roy RJ, Bernath PF. Fourier transform infrared emission spectra of MgH and MgD. The Journal of Chemical Physics. 120: 10002-8. PMID 15268020 DOI: 10.1063/1.1724821 |
0.257 |
|
| 1999 |
Liu Y, Li J, Chen D, Li L, Jones KM, Ji B, Le Roy RJ. Molecular constants and Rydberg-Klein-Rees (RKR) potential curve for the Na2 1 3∑g - state Journal of Chemical Physics. 111: 3494-3497. |
0.252 |
|
| 1984 |
Fournier PG, Le Roy RJ. Level energies and infrared radiative lifetimes of the muonic molecule Heμ+ Chemical Physics Letters. 110: 487-490. DOI: 10.1016/0009-2614(84)87076-1 |
0.248 |
|
| 2011 |
Zeng T, Li H, Le Roy RJ, Roy PN. "Adiabatic-hindered-rotor" treatment of the parahydrogen-water complex. The Journal of Chemical Physics. 135: 094304. PMID 21913760 DOI: 10.1063/1.3626840 |
0.244 |
|
| 2012 |
Raston PL, Jäger W, Li H, Le Roy RJ, Roy PN. Persistent molecular superfluid response in doped para-hydrogen clusters. Physical Review Letters. 108: 253402. PMID 23004599 DOI: 10.1103/Physrevlett.108.253402 |
0.239 |
|
| 2005 |
Crozet P, Ross AJ, Linton C, Adam AG, Hopkins WS, Le Roy RJ. Geometry of the CaOCH 3 radical from isotope effects in the Ã2E-X̃2A1 transition Journal of Molecular Spectroscopy. 229: 224-230. DOI: 10.1016/J.Jms.2004.09.006 |
0.237 |
|
| 1993 |
Slee T, Le Roy RJ. An efficient new method for calculating eigenvalues and spectra of van der Waals complexes The Journal of Chemical Physics. 99: 360-376. |
0.237 |
|
| 1979 |
Barwell MG, Le Roy RJ, Pajunen P, Child MS. Evaluation of high-order JWKB phase integrals The Journal of Chemical Physics. 71: 2618-2623. DOI: 10.1063/1.438618 |
0.234 |
|
| 1976 |
Le Roy RJ, Macdonald RG, Burns G. Diatom potential curves and transition moment functions from continuum absorption coefficients: Br2 The Journal of Chemical Physics. 65: 1485-1500. |
0.234 |
|
| 2019 |
Li H, Zhang XL, Zeng T, Le Roy RJ, Roy PN. Suppression of Parahydrogen Superfluidity in a Doped Nanoscale Bose Fluid Mixture. Physical Review Letters. 123: 093001. PMID 31524438 DOI: 10.1103/Physrevlett.123.093001 |
0.225 |
|
| 1984 |
Beckel CL, Kwong RB, Hashemi-Attar AR, Le Roy RJ. Functional form for representing all vibrational eigenenergies of a diatomic molecule state. IV. Application to the Br2 B( 3Π0u +) state The Journal of Chemical Physics. 81: 66-72. |
0.218 |
|
| 1971 |
Le Roy RJ. Analysis of the long-range internuclear potentials of B(3Π0u +)-state Br2 and Cl2 Journal of Molecular Spectroscopy. 39: 175-179. DOI: 10.1016/0022-2852(71)90291-8 |
0.213 |
|
| 1979 |
Grabenstetter JE, Le Roy RJ. Widths (lifetimes) and energies for metastable levels of atom-diatom complexes Chemical Physics. 42: 41-52. DOI: 10.1016/0301-0104(79)85165-4 |
0.207 |
|
| 1985 |
Hutson JM, Le Roy RJ. The secular equation/perturbation theory method for calculating spectra of van der Waals complexes The Journal of Chemical Physics. 83: 1197-1203. |
0.204 |
|
| 1971 |
Le Roy RJ. Eigenvalues and certain expectation values for all bound and quasibound levels of ground-state (X 1σg +)H2, HD, and D2 [8] The Journal of Chemical Physics. 54: 5433-5434. |
0.203 |
|
| 1983 |
Tromp JW, Le Roy RJ, Gerstenkorn S, Luc P. Reexamination of the I2 spectrum near the B(3Π0u +) state dissociation limit Journal of Molecular Spectroscopy. 100: 82-94. DOI: 10.1016/0022-2852(83)90027-9 |
0.194 |
|
| 2007 |
Le Roy RJ, Henderson RDE. A new potential function form incorporating extended long-range behaviour: Application to ground-state Ca2 Molecular Physics. 105: 663-677. DOI: 10.1080/00268970701241656 |
0.193 |
|
| 2000 |
Li H, Focsa C, Pinchemel B, Le Roy RJ, Bernath PF. Fourier transform spectroscopy of BaO: New ground-state constants from the A1Σ+-X1Σ+ chemiluminescence Journal of Chemical Physics. 113: 3026-3033. |
0.191 |
|
| 1986 |
Schwartz C, Le Roy RJ. Asymptotic potential coefficients for rare gas and alkali atoms and simple molecules interacting with metallic surfaces Surface Science. 166: L141-L147. DOI: 10.1016/0039-6028(86)90525-X |
0.184 |
|
| 1974 |
Le Roy RJ, Van Kranendonk J. Anisotropie intermolecular potentials from an analysis of spectra of H 2- And D2-inert gas complexes The Journal of Chemical Physics. 61: 4770-4776. |
0.176 |
|
| 2010 |
Li H, Le Roy RJ, Roy PN, McKellar AR. Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters. Physical Review Letters. 105: 133401. PMID 21230772 DOI: 10.1103/Physrevlett.105.133401 |
0.176 |
|
| 1978 |
Hepburn JW, Le Roy RJ. On calculating phase shifts and performing fits to scattering cross sections or transport properties Chemical Physics Letters. 57: 304-310. DOI: 10.1016/0009-2614(78)80457-6 |
0.168 |
|
| 1988 |
Eichenauer D, Le Roy RJ. Monte Carlo simulations of structural properties and infrared spectra of SF6-(Ar)n clusters The Journal of Chemical Physics. 88: 2898-2912. |
0.168 |
|
| 1991 |
Davies MR, Shelley JC, Le Roy RJ. Direct determination of long-range inverse-power potential coefficients from spectroscopic data The Journal of Chemical Physics. 94: 3479-3495. |
0.167 |
|
| 2011 |
Meshkov VV, Stolyarov AV, Le Roy RJ. Rapid, accurate calculation of the s-wave scattering length. The Journal of Chemical Physics. 135: 154108. PMID 22029298 DOI: 10.1063/1.3649946 |
0.166 |
|
| 1977 |
Kirschner SM, Le Roy RJ, Ogilvie JF, Tipping RH. Radial matrix elements and dipole moment function for the ground state of CO Journal of Molecular Spectroscopy. 65: 306-312. DOI: 10.1016/0022-2852(77)90199-0 |
0.163 |
|
| 1994 |
Le Roy RJ. Near-dissociation expansions and dissociation energies for Mg +-(rare gas) bimers The Journal of Chemical Physics. 101: 10217-10228. |
0.162 |
|
| 1970 |
Le Roy RJ, Quickert KA, Le Roy DJ. Permeability of one-dimensional potential barriers Transactions of the Faraday Society. 66: 2997-3006. DOI: 10.1039/TF9706602997 |
0.161 |
|
| 2006 |
Wei H, Le Roy RJ. Calculation of absolute scattering phase shifts Molecular Physics. 104: 147-150. DOI: 10.1080/00268970500302410 |
0.156 |
|
| 1999 |
Seto JY, Morbi Z, Charron F, Lee SK, Bernath PF, Le Roy RJ. Vibration-rotation emission spectra and combined isotopomer analyses for the coinage metal hydrides: CuH & CuD, AgH & AgD, and AuH & AuD Journal of Chemical Physics. 110: 11756-11767. |
0.154 |
|
| 1983 |
Hutson JM, Ashton CJ, Le Roy RJ. Vibrational predissociation of H2-, D2-, and HD-Ar van der Waals molecules Journal of Physical Chemistry. 87: 2713-2720. |
0.153 |
|
| 1993 |
Fawzy WM, Le Roy RJ, Simard B, Niki H, Hackett PA. Determining repulsive potentials of InAr from oscillatory bound → continuum emission The Journal of Chemical Physics. 98: 140-149. |
0.151 |
|
| 2009 |
Bouhaya L, Le Roy R, Feraille-Fresnet A. Simplified environmental study on innovative bridge structure. Environmental Science & Technology. 43: 2066-71. PMID 19368215 DOI: 10.1021/es801351g |
0.151 |
|
| 1982 |
Pajunen P, Le Roy RJ. Efficient calculation of high-order semiclassical scattering phase shifts The Journal of Chemical Physics. 77: 3527-3532. |
0.15 |
|
| 1980 |
Le Roy RJ. Energy-partitioning tunneling model and prediction of "low" a factors for intramolecular hydrogen transfer reactions Journal of Physical Chemistry. 84: 3508-3516. |
0.15 |
|
| 2006 |
Rey M, Tyuterev VG, Coxon JA, Le Roy RJ. Resolution of a convergence problem in direct-potential-fit data analyses: Applications to GaH(X1Σ+) and ArH+(X1Σ+) Journal of Molecular Spectroscopy. 238: 260-263. DOI: 10.1016/j.jms.2006.05.006 |
0.149 |
|
| 1979 |
Le Roy RJ. Comment regarding potential functions, level spacings and thermodynamic properties of van der Waals molecules Chemical Physics Letters. 67: 207-211. DOI: 10.1016/0009-2614(79)87140-7 |
0.145 |
|
| 1989 |
Le Roy RJ. Bound → continuum intensities - A computer program for calculating absorption coefficients, emission intensities or (golden rule) predissociation rates Computer Physics Communications. 52: 383-395. DOI: 10.1016/0010-4655(89)90113-6 |
0.143 |
|
| 2000 |
Hajigeorgiou PG, Le Roy RJ. A "modified Lennard-Jones oscillator" model for diatom potential functions Journal of Chemical Physics. 112: 3949-3957. |
0.138 |
|
| 1988 |
Shelley JC, Le Roy RJ, Amar FG. Two- versus three-dimensional melting and spontaneous reversing isomerization in isolated SF6-(Ar)9 van der Waals clusters Chemical Physics Letters. 152: 14-22. DOI: 10.1016/0009-2614(88)87321-4 |
0.138 |
|
| 1996 |
Appadoo DRT, Le Roy RJ, Bernath PF, Gerstenkorn S, Luc P, Vergès J, Sinzelle J, Chevillard J, D'Aignaux Y. Comprehensive analysis of the A-X spectrum of I2: An application of near-dissociation theory Journal of Chemical Physics. 104: 903-913. |
0.137 |
|
| 1991 |
Le Roy RJ, Davies MR, Lam ME. Rate proportional to (frequency shift)2 and other "all else being equal" correlations in vibrational predissociation Journal of Physical Chemistry. 95: 2167-2175. |
0.127 |
|
| 1985 |
Tromp JW, Le Roy RJ. Near-dissociation expansion representation of large spectroscopic data sets: The B(3Π0u + ← X(1Σg +) system of I2 Journal of Molecular Spectroscopy. 109: 352-367. DOI: 10.1016/0022-2852(85)90318-2 |
0.126 |
|
| 2002 |
Le Roy RJ, Huang Y. Representing Born-Oppenheimer breakdown radial correction functions for diatomic molecules Journal of Molecular Structure: Theochem. 591: 175-187. DOI: 10.1016/S0166-1280(02)00239-7 |
0.126 |
|
| 1983 |
Child MS, Essén H, Le Roy RJ. An RKR-like inversion procedure for bound-continuum transition intensities The Journal of Chemical Physics. 78: 6732-6740. |
0.123 |
|
| 2004 |
Le Roy RJ. Algebraic vs. numerical methods for analysing diatomic spectral data: A resolution of discrepancies Journal of Molecular Spectroscopy. 228: 92-104. DOI: 10.1016/j.jms.2004.03.022 |
0.121 |
|
| 1983 |
Paulsson R, Karlsson F, Le Roy RJ. Reliability of high-order phase-integral eigenvalues for single and double minimum potentials The Journal of Chemical Physics. 79: 4346-4354. |
0.119 |
|
| 2015 |
Rivlin T, Lodi L, Yurchenko SN, Tennyson J, Le roy RJ. ExoMol molecular line lists - X. The spectrum of sodium hydride Monthly Notices of the Royal Astronomical Society. 451: 634-638. DOI: 10.1093/mnras/stv979 |
0.116 |
|
| 1978 |
Liu WK, Grabenstetter JE, Le Roy RJ, McCourt FR. Effect of asymmetric isotopic substitution on atom-diatom potentials The Journal of Chemical Physics. 68: 5028-5031. |
0.115 |
|
| 1974 |
Kreek H, Le Roy RJ. Intermolecular potentials and isotope effects for molecular hydrogen-inert gas complexes The Journal of Chemical Physics. 61: 338-344. |
0.11 |
|
| 1983 |
Hutson JM, Le Roy RJ. Predissociation of HD-Ar van der Waals molecules by internal rotation The Journal of Chemical Physics. 78: 4040-4043. |
0.103 |
|
| 1980 |
Le Roy RJ. Theory of deviations from the limiting near-dissociation behavior of diatomic molecules The Journal of Chemical Physics. 73: 6003-6012. |
0.099 |
|
| 1991 |
Chartrand DJ, Shelley JC, Le Roy RJ. Pulling, packing and stacking: Structural proclivities of SF6-(rare gas)n van der Waals clusters Journal of Physical Chemistry. 95: 8310-8328. |
0.098 |
|
| 2013 |
Rothman LS, Gordon IE, Babikov Y, Barbe A, Chris Benner D, Bernath PF, Birk M, Bizzocchi L, Boudon V, Brown LR, Campargue A, Chance K, Cohen EA, Coudert LH, Devi VM, ... ... Le Roy RJ, et al. The HITRAN2012 molecular spectroscopic database Journal of Quantitative Spectroscopy and Radiative Transfer. 130: 4-50. DOI: 10.1016/j.jqsrt.2013.07.002 |
0.09 |
|
| 1984 |
Schwartz C, Le Roy RJ. Orbiting resonance model for recombination of physisorbed atoms The Journal of Chemical Physics. 81: 4149-4159. |
0.084 |
|
| 1990 |
Le Roy RJ, Chapman SG, McCourt FRW. Accurate thermodynamic properties of the six isotopomers of diatomic hydrogen Journal of Physical Chemistry. 94: 923-929. |
0.079 |
|
| 1984 |
Curtis JM, Wetmore RW, Le Roy RJ, Boyd RK. EXPERIMENTAL AND THEORETICAL STUDIES OF PREDISSOCIATION PROCESSES IN DOUBLY-CHARGED DIATOMICS. Annual Conference On Mass Spectrometry and Allied Topics. 332-333. |
0.075 |
|
| 1978 |
Kirschner SM, Le Roy RJ. On the application, breakdown, and near-dissociation behavior of the higher-order JWKB quantization condition The Journal of Chemical Physics. 68: 3139-3148. |
0.074 |
|
| 1998 |
Chartrand DJ, Le Roy RJ. How do quantum effects change conclusions about heterogeneous cluster behavior based on classical mechanics simulations? Journal of Chemical Physics. 108: 8626-8639. |
0.067 |
|
| 1972 |
Le Roy RJ, Sprague ED, Williams F. Quantum mechanical tunneling in hydrogen atom abstraction from solid acetonitrile at 77-87°K Journal of Physical Chemistry. 76: 546-551. |
0.067 |
|
| 1980 |
Le Roy RJ, Murai H, Williams F. Tunneling model for hydrogen abstraction reactions in low-temperature solids. Applications to reactions in alcohol glasses and acetonitrile crystals Journal of the American Chemical Society. 102: 2325-2334. |
0.063 |
|
| 1985 |
Fournier J, Salama F, Le Roy RJ. Ultraviolet photolysis and internal dynamics of Cl2 in an argon matrix at 4.2 K Journal of Physical Chemistry. 89: 3530-3534. |
0.062 |
|
| 1987 |
Schwartz C, Le Roy RJ. Nonadiabatic eigenvalues and adiabatic matrix elements for all isotopes of diatomic hydrogen Journal of Molecular Spectroscopy. 121: 420-439. DOI: 10.1016/0022-2852(87)90059-2 |
0.061 |
|
| 1984 |
Wetmore RW, Boyd RK, Le Roy RJ. A theoretical investigation of the CH2+ di-cation Chemical Physics. 89: 329-336. DOI: 10.1016/0301-0104(84)85060-0 |
0.052 |
|
| 2008 |
Meshkov VV, Stolyarov AV, Le Roy RJ. Adaptive analytical mapping procedure for efficiently solving the radial Schrödinger equation Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/PhysRevA.78.052510 |
0.038 |
|
| 1984 |
Wetmore RW, Le Roy RJ, Boyd RK. Theoretical investigation of the diatomic dication CO2+ Journal of Physical Chemistry. 88: 6318-6328. |
0.035 |
|
| 1984 |
Schwartz C, Le Roy RJ. A two-isotope higher-order RKR-type inversion procedure The Journal of Chemical Physics. 81: 3996-4001. |
0.035 |
|
| 1977 |
Loesch HJ, Carley JS, Zandee L, Reuss J, Le Roy RJ, Child MS, Dixon DA, Herschbach DR, Klemperer W, Whitehead RJ, Swaminathan S, Guth E, Beveridge DL, Kutzelnigg W, Murrell JN, et al. General discussion Faraday Discussions of the Chemical Society. 62: 300-346. DOI: 10.1039/DC9776200300 |
0.021 |
|
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