| Year |
Citation |
Score |
| 2017 |
Doll J, Dupuis P, Nyquist P. A Large Deviations Analysis of Certain Qualitative Properties of Parallel Tempering and Infinite Swapping Algorithms Applied Mathematics & Optimization. 78: 103-144. DOI: 10.1007/S00245-017-9401-9 |
0.375 |
|
| 2012 |
Doll JD, Plattner N, Freeman DL, Liu Y, Dupuis P. Rare-event sampling: occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods. The Journal of Chemical Physics. 137: 204112. PMID 23205986 DOI: 10.1063/1.4765060 |
0.561 |
|
| 2012 |
Lee T, Baskes MI, Valone SM, Doll JD. Atomistic modeling of thermodynamic equilibrium and polymorphism of iron. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 225404. PMID 22585441 DOI: 10.1088/0953-8984/24/22/225404 |
0.739 |
|
| 2012 |
Dupuis P, Liu Y, Plattner N, Doll JD. On the infinite swapping limit for parallel tempering Multiscale Modeling and Simulation. 10: 986-1022. DOI: 10.1137/110853145 |
0.349 |
|
| 2012 |
Plattner N, Kunikeev S, Freeman DL, Doll JD. Numerical investigation of the cumulant expansion for fourier path integrals Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 7134: 13-22. DOI: 10.1007/978-3-642-28145-7_2 |
0.535 |
|
| 2010 |
Rubenstein BM, Gubernatis JE, Doll JD. Comparative Monte Carlo efficiency by Monte Carlo analysis. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 82: 036701. PMID 21230207 DOI: 10.1103/Physreve.82.036701 |
0.385 |
|
| 2010 |
Kunikeev SD, Freeman DL, Doll JD. Convergence characteristics of the cumulant expansion for Fourier path integrals. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 81: 066707. PMID 20866544 DOI: 10.1103/Physreve.81.066707 |
0.56 |
|
| 2010 |
Meuwly M, Doll JD. Finite-temperature quantum simulations of mixed rare gas clusters. The Journal of Chemical Physics. 132: 234315. PMID 20572713 DOI: 10.1063/1.3431080 |
0.309 |
|
| 2009 |
Asare E, Musah AR, Curotto E, Freeman DL, Doll JD. The thermodynamic and ground state properties of the TIP4P water octamer. The Journal of Chemical Physics. 131: 184508. PMID 19916613 DOI: 10.1063/1.3259047 |
0.567 |
|
| 2009 |
Doll JD, Beck TL, Freeman DL. Classical monte carlo dynamics: A simulated annealing approach to the construction of double-ended classical trajectories International Journal of Quantum Chemistry. 36: 73-78. DOI: 10.1002/Qua.560360810 |
0.624 |
|
| 2009 |
Sharif K, Freeman DL, Doll JD. A numerical study of the asymptotic convergence characteristics of partial averaged and reweighted Fourier path integral methods International Journal of Quantum Chemistry. 109: 2916-2925. DOI: 10.1002/Qua.22241 |
0.595 |
|
| 2008 |
Curotto E, Freeman DL, Doll JD. A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water. The Journal of Chemical Physics. 128: 204107. PMID 18513010 DOI: 10.1063/1.2925681 |
0.538 |
|
| 2008 |
Sabo D, Meuwly M, Freeman DL, Doll JD. A constant entropy increase model for the selection of parallel tempering ensembles. The Journal of Chemical Physics. 128: 174109. PMID 18465912 DOI: 10.1063/1.2907846 |
0.551 |
|
| 2008 |
Plattner N, Bandi T, Doll JD, Freeman DL, Meuwly M. MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates Molecular Physics. 106: 1675-1684. DOI: 10.1080/00268970802314394 |
0.54 |
|
| 2007 |
Langley SF, Curotto E, Freeman DL, Doll JD. Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range. The Journal of Chemical Physics. 126: 084506. PMID 17343457 DOI: 10.1063/1.2484229 |
0.595 |
|
| 2005 |
Nigra P, Freeman DL, Doll JD. Combining smart darting with parallel tempering using Eckart space: application to Lennard-Jones clusters. The Journal of Chemical Physics. 122: 114113. PMID 15836207 DOI: 10.1063/1.1858433 |
0.605 |
|
| 2005 |
Sabo D, Freeman DL, Doll JD. Pressure dependent study of the solid-solid phase change in 38-atom Lennard-Jones cluster. The Journal of Chemical Physics. 122: 094716. PMID 15836171 DOI: 10.1063/1.1857521 |
0.559 |
|
| 2004 |
Diaconu CV, Cho AE, Doll JD, Freeman DL. Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride. The Journal of Chemical Physics. 121: 10026-40. PMID 15549878 DOI: 10.1063/1.1798992 |
0.749 |
|
| 2004 |
Sabo D, Predescu C, Doll JD, Freeman DL. Phase changes in selected Lennard-Jones X13-nYn clusters. The Journal of Chemical Physics. 121: 856-67. PMID 15260616 DOI: 10.1063/1.1759625 |
0.722 |
|
| 2004 |
Sabo D, Doll JD, Freeman DL. Taming the rugged landscape: production, reordering, and stabilization of selected cluster inherent structures in the X13-nYn system. The Journal of Chemical Physics. 121: 847-55. PMID 15260615 DOI: 10.1063/1.1759619 |
0.578 |
|
| 2004 |
Nigra P, Freeman DL, Sabo D, Doll JD. On the encapsulation of nickel clusters by molecular nitrogen. The Journal of Chemical Physics. 121: 475-82. PMID 15260569 DOI: 10.1063/1.1757435 |
0.579 |
|
| 2003 |
Predescu C, Doll JD. Random series and discrete path integral methods: The Lévy-Ciesielski implementation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 026124. PMID 12636765 DOI: 10.1103/Physreve.67.026124 |
0.624 |
|
| 2003 |
Predescu C, Sabo D, Doll JD, Freeman DL. Heat capacity estimators for random series path-integral methods by finite-difference schemes Journal of Chemical Physics. 119: 12119-12128. DOI: 10.1063/1.1625366 |
0.694 |
|
| 2003 |
Predescu C, Sabo D, Doll JD, Freeman DL. Energy estimators for random series path-integral methods Journal of Chemical Physics. 119: 10475-10488. DOI: 10.1063/1.1619372 |
0.726 |
|
| 2003 |
Predescu C, Sabo D, Doll JD. Numerical implementation of some reweighted path integral methods Journal of Chemical Physics. 119: 4641-4654. DOI: 10.1063/1.1595640 |
0.586 |
|
| 2003 |
Sabo D, Doll JD, Freeman DL. Taming the rugged landscape: Techniques for the production, reordering, and stabilization of selected cluster inherent structures Journal of Chemical Physics. 118: 7321-7328. DOI: 10.1063/1.1562621 |
0.576 |
|
| 2003 |
Ferrante DD, Doll J, Guralnik GS, Sabo D. Mollified Monte Carlo Nuclear Physics B - Proceedings Supplements. 119: 965-967. DOI: 10.1016/S0920-5632(03)01732-8 |
0.36 |
|
| 2002 |
Predescu C, Doll JD. Optimal series representations for numerical path integral simulations Journal of Chemical Physics. 117: 7448-7463. DOI: 10.1063/1.1509058 |
0.556 |
|
| 2002 |
Cho AE, Doll JD, Freeman DL. Wavelet formulation of path integral Monte Carlo Journal of Chemical Physics. 117: 5971-5977. DOI: 10.1063/1.1504439 |
0.585 |
|
| 2002 |
Sabo D, Doll JD, Freeman DL. Stationary tempering and the complex quadrature problem Journal of Chemical Physics. 116: 3509-3520. DOI: 10.1063/1.1446431 |
0.57 |
|
| 2000 |
Neirotti JP, Freeman DL, Doll JD. Approach to ergodicity in monte carlo simulations Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 62: 7445-61. PMID 11102107 DOI: 10.1103/Physreve.62.7445 |
0.631 |
|
| 2000 |
Calvo F, Neirotti JP, Freeman DL, Doll JD. Phase changes in 38-atom Lennard-Jones clusters. II. A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical ensembles Journal of Chemical Physics. 112: 10350-10357. DOI: 10.1063/1.481672 |
0.576 |
|
| 2000 |
Neirotti JP, Calvo F, Freeman DL, Doll JD. Phase changes in 38-atom Lennard-Jones clusters. I. A parallel tempering study in the canonical ensemble Journal of Chemical Physics. 112: 10340-10349. DOI: 10.1063/1.481671 |
0.578 |
|
| 2000 |
Neirotti JP, Freeman DL, Doll JD. A heat capacity estimator for Fourier path integral simulations Journal of Chemical Physics. 112: 3990-3996. DOI: 10.1063/1.480999 |
0.572 |
|
| 2000 |
Bae C, Freeman DL, Doll JD, Kresse G, Hafner J. Energetics of hydrogen chemisorbed on Cu(110): a first principles calculations study Journal of Chemical Physics. 113: 6926-6932. DOI: 10.1063/1.1311293 |
0.537 |
|
| 2000 |
Sabo D, Doll JD, Freeman DL. Self-adaptive quadrature and numerical path integration Journal of Chemical Physics. 113: 2522-2529. DOI: 10.1063/1.1305743 |
0.574 |
|
| 2000 |
Goodson DZ, Roelse DW, Chiang WT, Valone SM, Doll JD. A simple method for calculating quantum effects on the temperature dependence of bimolecular reaction rates: Application to H2 + H → H + H2 and CH4 + H → CH3 + H2 Journal of the American Chemical Society. 122: 9189-9195. DOI: 10.1021/Ja000674+ |
0.324 |
|
| 1999 |
Doll JD, Freeman DL. Comment on “A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo” [J. Chem. Phys.109, 2123 (1998)] The Journal of Chemical Physics. 111: 7685-7686. DOI: 10.1063/1.480094 |
0.573 |
|
| 1999 |
Eleftheriou M, Doll JD, Curotto E, Freeman DL. Asymptotic convergence rates of Fourier path integral methods Journal of Chemical Physics. 110: 6657-6672. DOI: 10.1063/1.478573 |
0.546 |
|
| 1999 |
Faken DB, Voter AF, Freeman DL, Doll JD. Dimensional Strategies and the Minimization Problem: Barrier-Avoiding Algorithms Journal of Physical Chemistry A. 103: 9521-9526. DOI: 10.1021/Jp9920949 |
0.73 |
|
| 1998 |
Curotto E, Freeman DL, Doll JD. A j-walking algorithm for microcanonical simulations: Applications to Lennard-Jones clusters Journal of Chemical Physics. 109: 1643-1647. DOI: 10.1063/1.476738 |
0.609 |
|
| 1998 |
Chen B, Gomez MA, Doll JD, Freeman DL. Theoretical studies of the effect of hydrogen-hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters Journal of Chemical Physics. 108: 4031-4038. DOI: 10.1063/1.475802 |
0.681 |
|
| 1998 |
Chen B, Gomez MA, Doll JD, Freeman DL. Theoretical studies of the effect of hydrogen–hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters The Journal of Chemical Physics. 108: 4031-4038. DOI: 10.1063/1.475802 |
0.501 |
|
| 1998 |
Kim D, Doll JD, Freeman DL. Dynamic path integral methods: A maximum entropy approach based on the combined use of real and imaginary time quantum Monte Carlo data Journal of Chemical Physics. 108: 3871-3875. DOI: 10.1063/1.475790 |
0.594 |
|
| 1998 |
Curotto E, Matro A, Freeman DL, Doll JD. A semi-empirical potential for simulations of transition metal clusters: Minima and isomers of Nin (n=2-13) and their hydrides Journal of Chemical Physics. 108: 729-742. DOI: 10.1063/1.475433 |
0.605 |
|
| 1998 |
Curotto E, Freeman DL, Chen B, Doll JD. The melting transition of Ni 7 and Ni 7 H as modeled by a semi-empirical potential Chemical Physics Letters. 295: 366-372. DOI: 10.1016/S0009-2614(98)00991-9 |
0.555 |
|
| 1997 |
Kim D, Doll JD, Gubernatis JE. The quantum dynamics of interfacial hydrogen: Path integral maximum entropy calculation of adsorbate vibrational line shapes for the H/Ni(111) system Journal of Chemical Physics. 106: 1641-1645. DOI: 10.1063/1.473231 |
0.354 |
|
| 1997 |
Eleftheriou M, Kim D, Doll JD, Freeman DL. Information theory and the optimization of Monte Carlo simulations Chemical Physics Letters. 276: 353-360. DOI: 10.1016/S0009-2614(97)00839-7 |
0.591 |
|
| 1996 |
Freeman DL, Doll JD. Computational Studies of Clusters: Methods and Results Annual Review of Physical Chemistry. 47: 43-80. DOI: 10.1146/Annurev.Physchem.47.1.43 |
0.641 |
|
| 1996 |
Chen B, Gomez MA, Sehl M, Doll JD, Freeman DL. Theoretical studies of the structure and dynamics of metal/hydrogen systems: Diffusion and path integral Monte Carlo investigations of nickel and palladium clusters Journal of Chemical Physics. 105: 9686-9694. DOI: 10.1063/1.472798 |
0.687 |
|
| 1996 |
Corcelli SA, Doll JD. A Bayesian approach to short-time quantum dynamics: Quantum instantaneous normal modes Chemical Physics Letters. 263: 671-679. DOI: 10.1016/S0009-2614(96)01260-2 |
0.354 |
|
| 1994 |
Freeman DL, Doll JD. Fourier path integral Monte Carlo method for the calculation of the microcanonical density of states The Journal of Chemical Physics. 101: 848-849. DOI: 10.1063/1.468087 |
0.58 |
|
| 1994 |
Matro A, Freeman DL, Doll JD. Locating transition states using double-ended classical trajectories The Journal of Chemical Physics. 101: 10458-10463. DOI: 10.1063/1.467863 |
0.628 |
|
| 1994 |
Cho AE, Doll JD, Freeman DL. The construction of double-ended classical trajectories Chemical Physics Letters. 229: 218-224. DOI: 10.1016/0009-2614(94)01058-7 |
0.609 |
|
| 1994 |
Doll JD, Freeman DL. Decisions, decisions: Noise and its effects on integral Monte Carlo algorithms Chemical Physics Letters. 227: 436-442. DOI: 10.1016/0009-2614(94)00847-7 |
0.566 |
|
| 1994 |
Finnila AB, Gomez MA, Sebenik C, Stenson C, Doll JD. Quantum annealing: A new method for minimizing multidimensional functions Chemical Physics Letters. 219: 343-348. DOI: 10.1016/0009-2614(94)00117-0 |
0.612 |
|
| 1992 |
Doll JD, Rick SW, Freeman DL. Stationary phase Monte Carlo methods: interference effects in quantum Monte Carlo dynamics Canadian Journal of Chemistry. 70: 497-505. DOI: 10.1139/V92-071 |
0.587 |
|
| 1992 |
Lynch DL, Rick SW, Gomez MA, Spath BW, Doll JD, Pratt LR. Spectroscopic studies of surface and subsurface hydrogen/metal systems The Journal of Chemical Physics. 97: 5177-5181. DOI: 10.1063/1.463816 |
0.662 |
|
| 1992 |
Frantz DD, Freeman DL, Doll JD. Extending J walking to quantum systems: Applications to atomic clusters The Journal of Chemical Physics. 97: 5713-5731. DOI: 10.1063/1.463756 |
0.626 |
|
| 1992 |
Leitner DM, Doll JD, Whitnell RM. Vibrational states of Lennard-Jones trimers The Journal of Chemical Physics. 96: 9239-9240. DOI: 10.1063/1.462235 |
0.484 |
|
| 1992 |
Rick SW, Doll JD. Whither magic numbers: a variational Monte Carlo study of six and seven atom helium clusters Chemical Physics Letters. 188: 149-153. DOI: 10.1016/0009-2614(92)85105-J |
0.378 |
|
| 1991 |
Rick SW, Leitner DL, Doll JD, Freeman DL, Frantz DD. The quantum mechanics of clusters: The low-temperature equilibrium and dynamical behavior of rare-gas systems The Journal of Chemical Physics. 95: 6658-6667. DOI: 10.1063/1.461536 |
0.62 |
|
| 1991 |
Rick SW, Lynch DL, Doll JD. A variational Monte Carlo study of argon, neon, and helium clusters The Journal of Chemical Physics. 95: 3506-3520. DOI: 10.1063/1.460853 |
0.402 |
|
| 1991 |
Leitner DM, Doll JD, Whitnell RM. Quantum mechanics of small Ne, Ar, Kr, and Xe clusters The Journal of Chemical Physics. 94: 6644-6659. DOI: 10.1063/1.460292 |
0.585 |
|
| 1990 |
Frantz DD, Freeman DL, Doll JD. Reducing quasi-ergodic behavior in Monte Carlo simulations by J-walking: Applications to atomic clusters The Journal of Chemical Physics. 93: 2769-2784. DOI: 10.1063/1.458863 |
0.672 |
|
| 1989 |
Xie J, Northby JA, Freeman DL, Doll JD. Theoretical studies of the energetics and structures of atomic clusters The Journal of Chemical Physics. 91: 612-619. DOI: 10.1063/1.457447 |
0.616 |
|
| 1989 |
Zhang C, Freeman DL, Doll JD. Monte Carlo studies of hydrogen fluoride clusters: Cluster size distributions in hydrogen fluoride vapor The Journal of Chemical Physics. 91: 2489-2497. DOI: 10.1063/1.457008 |
0.643 |
|
| 1989 |
Coalson RD, Freeman DL, Doll JD. Cumulant methods and short time propagators The Journal of Chemical Physics. 91: 4242-4248. DOI: 10.1063/1.456803 |
0.605 |
|
| 1989 |
Beck TL, Doll JD, Freeman DL. The quantum mechanics of cluster melting The Journal of Chemical Physics. 90: 5651-5656. DOI: 10.1063/1.456687 |
0.619 |
|
| 1989 |
Beck TL, Doll JD, Freeman DL. Locating stationary paths in functional integrals: An optimization method utilizing the stationary phase Monte Carlo sampling function The Journal of Chemical Physics. 90: 3181-3191. DOI: 10.1063/1.455868 |
0.626 |
|
| 1989 |
Northby JA, Xie J, Freeman DL, Doll JD. Binding energy of large icosahedral and cuboctahedral Lennard-Jones clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 12: 69-71. DOI: 10.1007/Bf01426907 |
0.634 |
|
| 1988 |
Doll JD, Beck TL, Freeman DL. Quantum Monte Carlo dynamics: The stationary phase Monte Carlo path integral calculation of finite temperature time correlation functions The Journal of Chemical Physics. 89: 5753-5763. DOI: 10.1063/1.455551 |
0.646 |
|
| 1988 |
Doll JD, Freeman DL. A comparative analysis of stationary-phase Monte Carlo methods Journal of Physical Chemistry. 92: 3278-3280. DOI: 10.1021/J100322A041 |
0.613 |
|
| 1988 |
Doll JD, Freeman DL, Gillan MJ. Stationary phase Monte Carlo methods: An exact formulation Chemical Physics Letters. 143: 277-283. DOI: 10.1016/0009-2614(88)87380-9 |
0.629 |
|
| 1987 |
Doll JD, Coalson RD, Freeman DL. Toward a Monte Carlo theory of quantum dynamics The Journal of Chemical Physics. 87: 1641-1647. DOI: 10.1063/1.453226 |
0.633 |
|
| 1987 |
Valone SM, Voter AF, Doll JD. Erratum: The influence of substrate motion on the self‐diffusion of hydrogen and its isotopes on the copper (100) surface [J. Chem. Phys. 85, 7480 (1986)] The Journal of Chemical Physics. 87: 2407-2407. DOI: 10.1063/1.453130 |
0.61 |
|
| 1986 |
Doll JD, Freeman DL. Randomly exact methods. Science (New York, N.Y.). 234: 1356-60. PMID 17755058 DOI: 10.1126/Science.234.4782.1356 |
0.611 |
|
| 1986 |
Coalson RD, Freeman DL, Doll JD. Partial averaging approach to Fourier coefficient path integration The Journal of Chemical Physics. 85: 4567-4583. DOI: 10.1063/1.451778 |
0.615 |
|
| 1986 |
Valone SM, Voter AF, Doll JD. The influence of substrate motion on the self-diffusion of hydrogen and its isotopes on the copper (100) surface The Journal of Chemical Physics. 85: 7480-7486. DOI: 10.1063/1.451337 |
0.658 |
|
| 1986 |
Freeman DL, Coalson RD, Doll JD. Fourier path integral methods: A model study of simple fluids Journal of Statistical Physics. 43: 931-934. DOI: 10.1007/Bf02628320 |
0.646 |
|
| 1985 |
Doll JD, Coalson RD, Freeman DL. Fourier path-integral Monte Carlo methods: Partial averaging. Physical Review Letters. 55: 1-4. PMID 10031665 DOI: 10.1103/Physrevlett.55.1 |
0.587 |
|
| 1985 |
Doll JD, Freeman DL. A comparison of energy estimators used in quantum Monte Carlo calculations The Journal of Chemical Physics. 83: 768-771. DOI: 10.1063/1.449491 |
0.636 |
|
| 1985 |
Freeman DL, Doll JD. Quantum Monte Carlo study of the thermodynamic properties of argon clusters: The homogeneous nucleation of argon in argon vapor and "magic number" distributions in argon vapor The Journal of Chemical Physics. 82: 462-471. DOI: 10.1063/1.448768 |
0.653 |
|
| 1985 |
Voter AF, Doll JD. Dynamical corrections to transition state theory for multistate systems: Surface self-diffusion in the rare-event regime The Journal of Chemical Physics. 82: 80-92. DOI: 10.1063/1.448739 |
0.34 |
|
| 1985 |
Valone SM, Voter AF, Doll JD. The isotope and temperature dependence of self-diffusion for hydrogen, deuterium, and tritium on Cu(100) in the 100-1000 K range Surface Science. 155: 687-699. DOI: 10.1016/0039-6028(85)90022-6 |
0.677 |
|
| 1984 |
Doll JD. Monte Carlo Fourier path integral methods in chemical dynamics The Journal of Chemical Physics. 81: 3536-3541. DOI: 10.1063/1.448081 |
0.413 |
|
| 1984 |
Doll JD, Freeman DL. A Monte Carlo method for quantum Boltzmann statistical mechanics The Journal of Chemical Physics. 80: 2239-2240. DOI: 10.1063/1.446919 |
0.612 |
|
| 1984 |
Freeman DL, Doll JD. A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals The Journal of Chemical Physics. 80: 5709-5718. DOI: 10.1063/1.446640 |
0.662 |
|
| 1984 |
Voter AF, Doll JD. Transition state theory description of surface self-diffusion: Comparison with classical trajectory results The Journal of Chemical Physics. 80: 5832-5838. DOI: 10.1063/1.446610 |
0.356 |
|
| 1984 |
Voter AF, Doll JD. Surface self-diffusion constants at low temperature: Monte Carlo transition state theory with importance sampling The Journal of Chemical Physics. 80: 5814-5817. DOI: 10.1063/1.446606 |
0.36 |
|
| 1984 |
Valone SM, Doll JD. A coverage study of the self-diffusion and chemical diffusion constants for disordered overlayers of Xe on W(110) Surface Science. 139: 478-490. DOI: 10.1016/0039-6028(84)90065-7 |
0.62 |
|
| 1984 |
Freeman DL, Doll JD. A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals The Journal of Chemical Physics. 80: 5709-5718. |
0.577 |
|
| 1983 |
Adams JE, Doll JD. Thermal desorption of argon and neon from solid xenon. II. Sticking probabilities The Journal of Chemical Physics. 80: 1681-1686. DOI: 10.1063/1.446870 |
0.557 |
|
| 1983 |
Freeman DL, Doll JD. Langevin analysis of the diffusion model for surface chemical reactions The Journal of Chemical Physics. 79: 2343-2350. DOI: 10.1063/1.446039 |
0.556 |
|
| 1983 |
Doll JD, McDowell HK, Valonec SM. Theoretical studies of surface diffusion: A strategy for enhanced sampling The Journal of Chemical Physics. 78: 5276-5277. DOI: 10.1063/1.445357 |
0.329 |
|
| 1983 |
McDowell HK, Doll JD. Theoretical studies of surface diffusion: Self-diffusion in the fcc(100) system The Journal of Chemical Physics. 78: 3219-3222. DOI: 10.1063/1.445238 |
0.323 |
|
| 1983 |
McDowell HK, Valone SM, Doll JD. Numerical simulations of adatom pair distribution functions Surface Science. 131: 511-516. DOI: 10.1016/0039-6028(83)90295-9 |
0.646 |
|
| 1983 |
Doll JD, Freeman DL. A monte-carlo/molecular dynamics study of the diffusional recombination kinetics of C(a) + O(a) → CO(g) on Pt(111) Surface Science. 134: 769-776. DOI: 10.1016/0039-6028(83)90073-0 |
0.537 |
|
| 1982 |
Freeman DL, Doll JD. The influence of diffusion on surface reaction kinetics The Journal of Chemical Physics. 78: 6002-6009. DOI: 10.1063/1.444616 |
0.557 |
|
| 1982 |
Adams JE, Doll JD. Thermal desorption of argon and neon from solid xenon. I. Transition state theory rate constants The Journal of Chemical Physics. 77: 2964-2967. DOI: 10.1063/1.444218 |
0.527 |
|
| 1982 |
Valone SM, Doll JD, Keith McDowell H. Potentials of mean force for adatoms on surfaces Surface Science. 119: 71-78. DOI: 10.1016/0039-6028(82)90188-1 |
0.634 |
|
| 1981 |
Adams JE, Doll JD. A Monte Carlo evaluation of thermal desorption rates The Journal of Chemical Physics. 74: 5332-5333. DOI: 10.1063/1.441705 |
0.585 |
|
| 1981 |
Adams JE, Doll JD. Desorption from solid surfaces via generalized Slater theory The Journal of Chemical Physics. 74: 1467-1471. DOI: 10.1063/1.441160 |
0.532 |
|
| 1981 |
Brady JW, Doll JD, Thompson DL. Cluster dynamics: A classical trajectory study of A *n→An-1+A The Journal of Chemical Physics. 74: 1026-1028. DOI: 10.1063/1.438653 |
0.373 |
|
| 1981 |
Adams JE, Doll JD. Dynamical corrections to transition state theory adsorption rates: Effect of a precursor state Surface Science. 103: 472-481. DOI: 10.1016/0167-2584(81)90647-2 |
0.549 |
|
| 1981 |
Adams JE, Doll JD. Dynamical aspects of precursor state kinetics Surface Science. 111: 492-502. DOI: 10.1016/0039-6028(81)90404-0 |
0.519 |
|
| 1981 |
McDowell K, Doll JD. Quantum Monte Carlo and the hydride ion Chemical Physics Letters. 82: 127-129. DOI: 10.1016/0009-2614(81)85121-4 |
0.359 |
|
| 1981 |
Doll JD. Monte Carlo based electronic structure techniques: analysis and applications Chemical Physics Letters. 81: 335-338. DOI: 10.1016/0009-2614(81)80264-3 |
0.311 |
|
| 1980 |
Adams JE, Doll JD. Dynamics of ion channeling at low energies: Nonnormal incidence The Journal of Chemical Physics. 74: 2075-2076. DOI: 10.1063/1.441255 |
0.496 |
|
| 1980 |
Brady JW, Doll JD, Thompson DL. Cluster dynamics: Further classical trajectory studies of A+A n⇄A*n+1 The Journal of Chemical Physics. 73: 2767-2772. DOI: 10.1063/1.440444 |
0.394 |
|
| 1980 |
Adams JE, Doll JD. Dynamics of ion channeling at low energies: Preliminary trajectory studies The Journal of Chemical Physics. 73: 2137-2144. DOI: 10.1063/1.440409 |
0.519 |
|
| 1980 |
Bradya JW, Doll JD, Thompson DL. A classical trajectory study of xenon atom-chlorine dimer collisions The Journal of Chemical Physics. 73: 292-296. DOI: 10.1063/1.439872 |
0.352 |
|
| 1980 |
Doll JD. Anharmonic corrections in unimolecular theory: a monte carlo approach Chemical Physics Letters. 72: 139-142. DOI: 10.1016/0009-2614(80)80259-4 |
0.377 |
|
| 1979 |
Doll JD, Myers LE. Semiclassical Monte Carlo methods The Journal of Chemical Physics. 71: 2880-2883. DOI: 10.1063/1.438688 |
0.419 |
|
| 1979 |
Doll JD, Reinhardt WP. π electron theories viewed as parametrizations of the one-body green's function Journal of Physical Chemistry. 83: 1508-1517. |
0.474 |
|
| 1975 |
Doll JD, Reinhardt WP. Analytical evaluation of 1-matrices, a generalization of the Kato perturbation technique The Journal of Chemical Physics. 62: 2003-2004. DOI: 10.1063/1.430656 |
0.488 |
|
| 1974 |
Eastes W, Doll JD. Semiclassical calculation of the harmonic oscillator transition probability for a collinear hard sphere collision The Journal of Chemical Physics. 60: 297-302. DOI: 10.1063/1.1680783 |
0.363 |
|
| 1974 |
Doll JD. Semiclassical theory of atom-solid surface collisions: Elastic scattering Chemical Physics. 3: 257-264. DOI: 10.1016/0301-0104(74)80066-2 |
0.313 |
|
| 1973 |
Doll JD, George TF, Miller WH. Complex‐valued classical trajectories for reactive tunneling in three‐dimensional collisions of H and H2 The Journal of Chemical Physics. 58: 1343-1351. DOI: 10.1063/1.1679366 |
0.414 |
|
| 1972 |
Doll JD, Reinhardt WP. Many-body green's functions for finite, nonuniform systems: Applications to closed shell atoms The Journal of Chemical Physics. 57: 1169-1184. DOI: 10.1063/1.1678374 |
0.587 |
|
| 1972 |
Doll JD, Miller WH. ClassicalS‐Matrix for Vibrational Excitation of H2by Collision with He in Three Dimensions The Journal of Chemical Physics. 57: 5019-5026. DOI: 10.1063/1.1678182 |
0.528 |
|
| 1972 |
Doll JD, Miller WH. Classical‐Limit Quantization of Nonseparable Systems: Multidimensional WKB Perturbation Theory The Journal of Chemical Physics. 57: 4428-4434. DOI: 10.1063/1.1678085 |
0.522 |
|
| 1969 |
Reinhardt WP, Doll JD. Direct Calculation of Natural Orbitals by Many‐Body Perturbation Theory: Application to Helium The Journal of Chemical Physics. 50: 2767-2768. DOI: 10.1063/1.1671446 |
0.556 |
|
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