| Year |
Citation |
Score |
| 1997 |
Kelchner CL, DePristo AE. Molecular dynamics simulations of multilayer homoepitaxial thin film growth in the diffusion-limited regime Surface Science. 393: 72-84. DOI: 10.1016/S0039-6028(97)00560-8 |
0.325 |
|
| 1996 |
DePristo AE. Hohenberg-Kohn density-functional theory as an implicit Poisson equation for density changes from summed fragment densities. Physical Review. a, Atomic, Molecular, and Optical Physics. 54: 3863-3869. PMID 9913933 DOI: 10.1103/Physreva.54.3863 |
0.308 |
|
| 1996 |
Kelchner CL, DePristo AE. Molecular dynamics simulation of multilayer homoepitaxial deposition on face‐centered‐cubic(100) metal surfaces Journal of Vacuum Science and Technology. 14: 1633-1636. DOI: 10.1116/1.580309 |
0.35 |
|
| 1996 |
Wetzel TL, DePristo AE. Structures and energetics of Ni24–Ni55 clusters Journal of Chemical Physics. 105: 572-580. DOI: 10.1063/1.471910 |
0.394 |
|
| 1996 |
Li Y, DePristo AE. Predicted growth mode for metal homoepitaxy on the fcc (111) surface Surface Science. 351: 189-199. DOI: 10.1016/0039-6028(96)80063-X |
0.317 |
|
| 1995 |
Zhu L, DePristo AE. Bond order simulation model: Coordination dependent bimetallic bonds Journal of Chemical Physics. 102: 5342-5349. DOI: 10.1063/1.469261 |
0.387 |
|
| 1995 |
Perkins LS, DePristo AE. The influence of lattice distortion on atomic self-diffusion on fcc (001) surfaces: Ni, Cu, Pd, Ag Surface Science. 325: 169-176. DOI: 10.1016/0039-6028(94)00719-5 |
0.387 |
|
| 1994 |
Raeker TJ, DePristo AE. Theoretical predictions of heats of formation of fcc binary transition-metal alloys using the corrected effective-medium theory. Physical Review. B, Condensed Matter. 49: 8663-8670. PMID 10009645 DOI: 10.1103/Physrevb.49.8663 |
0.402 |
|
| 1994 |
Li Y, Raeker TJ, DePristo AE. Step-facilitated dissociation of small metal clusters: A molecular-dynamics study. Physical Review. B, Condensed Matter. 50: 14742-14745. PMID 9975724 DOI: 10.1103/Physrevb.50.14742 |
0.357 |
|
| 1994 |
Yang L, DePristo AE. On the factors determining the isomers of metal clusters Journal of Chemical Physics. 100: 725-728. DOI: 10.1063/1.466938 |
0.33 |
|
| 1994 |
Gregurick S, Alexander MH, DePristo AE. Quantum scattering studies of vibrational excitation in collisions of NO(X 2Π) with a Ag(111) surface The Journal of Chemical Physics. 100: 610-621. DOI: 10.1063/1.466922 |
0.746 |
|
| 1994 |
Kelchner CL, Halstead DM, Perkins LS, Wallace NM, DePristo AE. Construction and evaluation of embedding functions Surface Science. 310: 425-435. DOI: 10.1016/0039-6028(94)91405-2 |
0.44 |
|
| 1994 |
Raeker TJ, DePristo AE. The definition and calculation of interfacial energies for thin films Surface Science. 310: 337-346. DOI: 10.1016/0039-6028(94)91397-8 |
0.331 |
|
| 1994 |
Bilalbegović G, DePristo AE. Atom deposition on surface clusters: thin film growth on Pd(111) Surface Science. 302. DOI: 10.1016/0039-6028(94)90825-7 |
0.331 |
|
| 1994 |
Perkins LS, DePristo AE. Heterogeneous adatom diffusion on fcc(100) surfaces: Ni, Cu, Rh, Pd, and Ag Surface Science. 319: 225-231. DOI: 10.1016/0039-6028(94)90589-4 |
0.439 |
|
| 1994 |
Li Y, DePristo AE. Potential energy barriers for interlayer mass transport in homoepitaxial growth on fcc(111) surfaces: Pt and Ag Surface Science. 319: 141-148. DOI: 10.1016/0039-6028(94)90576-2 |
0.374 |
|
| 1994 |
Raeker TJ, DePristo AE. Molecular dynamics and kinetic Monte Carlo simulations of Fe island growth on Cu(111) Surface Science. 317: 283-294. DOI: 10.1016/0039-6028(94)90284-4 |
0.327 |
|
| 1994 |
Perkins LS, DePristo AE. Self-diffusion of adatoms on fcc(110) surfaces Surface Science. 317. DOI: 10.1016/0039-6028(94)90283-6 |
0.329 |
|
| 1993 |
Sinnott SB, Kelchner CL, DePristo AE. Exploration of approximations of the kinetic‐exchange‐correlation energy The Journal of Chemical Physics. 99: 1816-1823. DOI: 10.1063/1.465298 |
0.43 |
|
| 1993 |
Yang L, Raeker TJ, DePristo AE. Surface segregation in bimetallic clusters: Predictions using a molecular dynamics/Monte Carlo corrected effective medium theory Surface Science. 290: 195-205. DOI: 10.1016/0039-6028(93)90601-F |
0.384 |
|
| 1993 |
Halstead DM, DePristo AE. Thin film growth and the scattering of atoms from surface island defects Surface Science. 286: 275-289. DOI: 10.1016/0039-6028(93)90411-C |
0.38 |
|
| 1993 |
Perkins LS, DePristo AE. Self-diffusion mechanisms for adatoms on fcc(100) surfaces Surface Science. 294: 67-77. DOI: 10.1016/0039-6028(93)90159-H |
0.303 |
|
| 1992 |
Sanders DE, Halstead DM, DePristo AE. Metal/metal homoepitaxy on fcc(111) and fcc(001) surfaces : deposition and scattering from small islands Journal of Vacuum Science and Technology. 10: 1986-1992. DOI: 10.1116/1.578014 |
0.442 |
|
| 1992 |
Raeker TJ, DePristo AE. Alloy formation energetics and dynamics in the Ni/Cu(100) and Ni/Cu(111) systems Journal of Vacuum Science and Technology. 10: 2396-2399. DOI: 10.1116/1.577972 |
0.333 |
|
| 1992 |
Fournier R, Sinnott SB, DePristo AE. Density functional study of the bonding in small silicon clusters The Journal of Chemical Physics. 97: 4149-4161. DOI: 10.1063/1.463918 |
0.392 |
|
| 1992 |
Stave MS, DePristo AE. The structure of NiN and PdN clusters: 4≤N≤23 Journal of Chemical Physics. 97: 3386-3398. DOI: 10.1063/1.462975 |
0.317 |
|
| 1992 |
Fournier R, DePristo AE. Predicted bond energies in peroxides and disulfides by density functional methods The Journal of Chemical Physics. 96: 1183-1193. DOI: 10.1063/1.462206 |
0.38 |
|
| 1992 |
Fournier R, Stave MS, DePristo AE. Dissociation dynamics of D2on rigid and nonrigid Ni clusters The Journal of Chemical Physics. 96: 1530-1539. DOI: 10.1063/1.462137 |
0.413 |
|
| 1992 |
Schoeb AM, Raeker TJ, Yang L, Wu X, King TS, DePristo AE. Driving force for surface segregation in bimetallic catalysts Surface Science. 278. DOI: 10.1016/0167-2584(92)90279-E |
0.419 |
|
| 1992 |
Sanders DE, DePristo AE. A non-unique relationship between potential energy surface barrier and dynamical diffusion barrier: fcc (111) metal surface Surface Science. 264. DOI: 10.1016/0039-6028(92)90149-Z |
0.441 |
|
| 1992 |
Sanders DE, DePristo AE. Predicted diffusion rates on fcc (001) metal surfaces for adsorbate/substrate combinations of Ni, Cu, Rh, Pd, Ag, Pt, Au Surface Science. 260: 116-128. DOI: 10.1016/0039-6028(92)90025-2 |
0.36 |
|
| 1991 |
Sinnott SB, Stave MS, Raeker TJ, DePristo AE. Corrected effective-medium study of metal-surface relaxation. Physical Review. B, Condensed Matter. 44: 8927-8941. PMID 9998853 DOI: 10.1103/Physrevb.44.8927 |
0.307 |
|
| 1991 |
Raeker TJ, Depristo AE. Theory of chemical bonding based on the atom–homogeneous electron gas system International Reviews in Physical Chemistry. 10: 1-54. DOI: 10.1080/01442359109353253 |
0.357 |
|
| 1991 |
DePristo AE, Alexander MH. Potential energy hypersurfaces for the interaction of NO with the Ag(111) surface Journal of Chemical Physics. 94: 8454-8467. DOI: 10.1063/1.460079 |
0.598 |
|
| 1991 |
Sanders DE, DePristo AE. Metal/metal homo-epitaxy on fcc (001) surfaces: Is there transient mobility of adsorbed atoms? Surface Science. 254: 341-353. DOI: 10.1016/0039-6028(91)90666-G |
0.415 |
|
| 1991 |
Raeker TJ, DePristo AE. Theoretical studies of dynamical phenomena in epitaxial surface systems Surface Science. 248: 134-146. DOI: 10.1016/0039-6028(91)90067-3 |
0.419 |
|
| 1990 |
Raeker TJ, Sanders DE, DePristo AE. Molecular dynamics simulations of metal adsorbates on metal surfaces: Rh on Ag(100) Journal of Vacuum Science and Technology. 8: 3531-3536. DOI: 10.1116/1.576502 |
0.395 |
|
| 1990 |
Stave MS, Sanders DE, Raeker TJ, DePristo AE. Corrected effective medium method. V. Simplifications for molecular dynamics and Monte Carlo simulations Journal of Chemical Physics. 93: 4413-4426. DOI: 10.1063/1.458724 |
0.369 |
|
| 1990 |
Kara A, DePristo AE. On the concept and distribution of reactive sites in dissociative chemisorption Journal of Chemical Physics. 92: 5653-5660. DOI: 10.1063/1.458497 |
0.335 |
|
| 1990 |
Raeker TJ, DePristo AE. Corrected effective medium calculations of the chemisorption of H and N on Fe(100), Fe(110) and W(110) Surface Science. 235: 84-106. DOI: 10.1016/0039-6028(90)90109-L |
0.35 |
|
| 1989 |
Raeker TJ, DePristo AE. Corrected effective-medium method. IV. Bulk cohesive and surface energies of second- and third-row metals and multilayer relaxation of Al, Fe, and Ni. Physical Review. B, Condensed Matter. 39: 9967-9982. PMID 9947774 DOI: 10.1103/Physrevb.39.9967 |
0.43 |
|
| 1989 |
DePristo AE, Metiu H. Erratum: Molecular dynamics simulations of energy flow at a solid surface: New methods using a smaller number of atoms [J. Chem. Phys. 90, 1229 (1989)] Journal of Chemical Physics. 91: 1385-1385. DOI: 10.1063/1.457686 |
0.41 |
|
| 1989 |
Raghavan K, Stave MS, DePristo AE. Ni clusters: structures and reactivity with D2 Journal of Chemical Physics. 91: 1904-1917. DOI: 10.1063/1.457096 |
0.345 |
|
| 1989 |
Metiu H, DePristo AE. Surface damage caused by bombardment with low‐energy (10–30 eV) argon Journal of Chemical Physics. 91: 2735-2742. DOI: 10.1063/1.456983 |
0.448 |
|
| 1989 |
DePristo AE, Metiu H. Molecular dynamics simulations of energy flow at a solid surface. New methods using a small number of atoms Journal of Chemical Physics. 90: 1229-1236. DOI: 10.1063/1.456128 |
0.4 |
|
| 1989 |
Kress JD, Stave MS, DePristo AE. Corrected effective medium method. 3. Application to clusters of Mg and Cu The Journal of Physical Chemistry. 93: 1556-1565. DOI: 10.1021/J100341A072 |
0.599 |
|
| 1988 |
Kress JD, DePristo AE. Semiclassical Gaussian wave packet dynamics for collinear reactive scattering Journal of Chemical Physics. 89: 2886-2893. DOI: 10.1063/1.454993 |
0.58 |
|
| 1988 |
Lee C, DePristo AE. Erratum: Dissociation dynamics of H2 on Ni(100), Ni(110), and Ni(111) surfaces [J. Chem. Phys. 84, 485 (1986)] Journal of Chemical Physics. 88: 1478-1478. DOI: 10.1063/1.454775 |
0.316 |
|
| 1988 |
Kara A, DePristo AE. Potential energy surface morphology and the variation of dissociative chemisorption probabilities with kinetic energy and angle: N2/W(110) Journal of Chemical Physics. 88: 2033-2035. DOI: 10.1063/1.454078 |
0.435 |
|
| 1988 |
Kress JD, DePristo AE. Corrected effective medium method. II. N‐body formulation Journal of Chemical Physics. 88: 2596-2608. DOI: 10.1063/1.454039 |
0.626 |
|
| 1988 |
Kara A, Depristo AE. Dynamics of dissociative chemisorption: N2/W(110) Surface Science. 193: 437-454. DOI: 10.1016/0039-6028(88)90445-1 |
0.414 |
|
| 1987 |
DePristo AE, Kress JD. Kinetic-energy functionals via Padé approximations. Physical Review. a, General Physics. 35: 438-441. PMID 9897974 DOI: 10.1103/Physreva.35.438 |
0.592 |
|
| 1987 |
Lee C, DePristo AE. Dissociative chemisorption of H2 on Ni surfaces: Incident kinetic energy dependence and the characteristics of the potential energy surface Journal of Vacuum Science and Technology. 5: 485-487. DOI: 10.1116/1.574697 |
0.41 |
|
| 1987 |
Lee C, DePristo AE. Dissociative chemisorption of H2 on Ni surfaces: Dependence on incident angles and rovibrational states Journal of Chemical Physics. 87: 1401-1404. DOI: 10.1063/1.453269 |
0.444 |
|
| 1987 |
Kress JD, DePristo AE. Corrected effective medium method. I. One‐body formulation with applications to atomic chemisorption and diatomic molecular potentials Journal of Chemical Physics. 87: 4700-4715. DOI: 10.1063/1.452834 |
0.625 |
|
| 1987 |
Lee C, DePristo AE. Erratum: Dissociative chemisorption dynamics of H2 on Ni and Cu surfaces: Morphology and surface temperature effects (J. Chem. Phys. 85, 4161 (1986)) Journal of Chemical Physics. 86: 6568-6568. DOI: 10.1063/1.452791 |
0.346 |
|
| 1987 |
DePristo AE, Kress JD. Rational function representation for accurate exchange energy functionals Journal of Chemical Physics. 86: 1425-1428. DOI: 10.1063/1.452230 |
0.62 |
|
| 1986 |
Cole SK, DePristo AE. State‐to‐state differential cross sections from semiclassical energy conserving trajectory calculations: H+2(v)+H2(0)→H2(v‘)+H+2(v’) Journal of Chemical Physics. 85: 1389-1395. DOI: 10.1063/1.451227 |
0.369 |
|
| 1986 |
Lee C, DePristo AE. Dissociative chemisorption dynamics of H2 on Ni and Cu surfaces: Morphology and surface temperature effects Journal of Chemical Physics. 85: 4161-4171. DOI: 10.1063/1.450889 |
0.464 |
|
| 1986 |
Lee C, DePristo AE. Dissociation dynamics of H2 on Ni(100), Ni(110), and Ni(111) surfaces Journal of Chemical Physics. 84: 485-495. DOI: 10.1063/1.450112 |
0.438 |
|
| 1986 |
Depristo AE, Geiger LC. Energy transfer processes in linear triatomic molecule-solid surface collisions Surface Science. 176: 425-437. DOI: 10.1016/0167-2584(86)91006-6 |
0.395 |
|
| 1986 |
DePristo AE, Lee C, Jutson JM. Dynamics of physisorption for the H2,D2Cu(100) and H2Ag(111) systems Surface Science. 169: 451-469. DOI: 10.1016/0039-6028(86)90625-4 |
0.405 |
|
| 1986 |
Kraus WA, DePristo AE. Reaction dynamics on bifurcating potential energy surfaces Theoretical Chemistry Accounts. 69: 309-322. DOI: 10.1007/Bf00527706 |
0.404 |
|
| 1985 |
DePristo AE. An improved time‐dependent harmonic oscillator method for vibrationally inelastic collisions Journal of Chemical Physics. 83: 100-107. DOI: 10.1063/1.449800 |
0.325 |
|
| 1984 |
Lee C, DePristo AE. Erratum: Semiclassical investigation of vibrational state and molecular orientation effects in electron transfer reactions for the H+2/H2 collision [J. Chem. Phys. 80, 1116 (1984)] Journal of Chemical Physics. 81: 2189-2189. DOI: 10.1063/1.448197 |
0.32 |
|
| 1984 |
Lee C, DePristo AE. Semiclassical investigation of electron transfer reactions in H+2/H2, H+2/D2, D+2/H2, and D+2/D2 collisions Journal of Chemical Physics. 81: 3512-3519. DOI: 10.1063/1.448079 |
0.359 |
|
| 1984 |
Clary DC, DePristo AE. Collisions of polyatomic molecules with solid surfaces: A semiclassical stochastic trajectory approach The Journal of Chemical Physics. 81: 5167-5178. DOI: 10.1063/1.447464 |
0.39 |
|
| 1984 |
Lee C, DePristo AE. Semiclassical investigation of vibrational state and molecular orientation effects in electron transfer reactions for the H+2/H2 collision Journal of Chemical Physics. 80: 1116-1126. DOI: 10.1063/1.446840 |
0.385 |
|
| 1984 |
Depristo AE. Semiclassical stochastic trajectory investigation of vibrational-rotational-translational-phonon energy transfer: The role of attractive forces Surface Science. 137: 130-150. DOI: 10.1016/0039-6028(84)90681-2 |
0.428 |
|
| 1984 |
Depristo AE. Memory function parametrization in the gle-ghost atom formalism: A microscopic approach Surface Science. 141: 40-60. DOI: 10.1016/0039-6028(84)90195-X |
0.345 |
|
| 1984 |
Lee C, Grote RF, DePristo AE. Semiclassical stochastic trajectory treatment of the scattering of molecules from (non-rigid, structured) solid surfaces Surface Science. 145: 466-486. DOI: 10.1016/0039-6028(84)90094-3 |
0.456 |
|
| 1983 |
Clary DC, DePristo AE. Application of scaling theory to vibrational relaxation in linear anharmonic triatomic molecules The Journal of Chemical Physics. 79: 2206-2211. DOI: 10.1063/1.446069 |
0.345 |
|
| 1983 |
DePristo AE. Electron transfer in the O+2(X 2Πg, v=0–8) +O2(X 3Σg, v=0) system Journal of Chemical Physics. 79: 1741-1744. DOI: 10.1063/1.446018 |
0.332 |
|
| 1983 |
DePristo AE. A test of the semiclassical energy conserving trajectory technique for low energy electron transfer reactions Journal of Chemical Physics. 78: 1237-1245. DOI: 10.1063/1.444915 |
0.392 |
|
| 1983 |
Richard AM, Depristo AE. Semiclassical stochastic trajectory approach to molecule-solid surface scattering Surface Science. 134: 338-366. DOI: 10.1016/0167-2584(83)90721-1 |
0.45 |
|
| 1983 |
Grote RF, Depristo AE. Semiclassical trajectory study of He scattering off of LiF(001) Surface Science. 131: 491-500. DOI: 10.1016/0167-2584(83)90349-3 |
0.389 |
|
| 1983 |
Richard AM, Depristo AE. On the surface temperature dependence of non-equilibrium translational energy accommodation coefficients Surface Science. 124: 241-252. DOI: 10.1016/0039-6028(83)90347-3 |
0.387 |
|
| 1982 |
DePristo AE, Sears SB. Theory of electron transfer reactions. II. Exact quantum number scaling relationship for semiclassical time‐dependent dynamics Journal of Chemical Physics. 77: 298-306. DOI: 10.1063/1.443654 |
0.347 |
|
| 1982 |
Sears SB, DePristo AE. Theory of electron transfer reactions. I. An approximate Franck–Condon, exponential distorted wave scaling theory Journal of Chemical Physics. 77: 290-297. DOI: 10.1063/1.443653 |
0.34 |
|
| 1982 |
Baer T, DePristo AE, Hermans JJ. Statistical energy partitioning in dissociation to several products The Journal of Chemical Physics. 76: 5917-5922. DOI: 10.1063/1.442945 |
0.386 |
|
| 1982 |
DePristo AE. Application of classical scaling theory to vibrational inelasticity in atom-Morse oscillator collision systems The Journal of Physical Chemistry. 86: 1334-1340. DOI: 10.1021/J100397A025 |
0.347 |
|
| 1981 |
DePristo AE. Exact classical scaling formalism for nonreactive processes Journal of Chemical Physics. 75: 3384-3396. DOI: 10.1063/1.442446 |
0.325 |
|
| 1981 |
DePristo AE. The influence of rotational changes on the quantum number scaling of vibrationally inelastic rate constants Journal of Chemical Physics. 74: 5037-5043. DOI: 10.1063/1.441711 |
0.353 |
|
| 1980 |
DePristo AE. On the systematics of vibrational relaxation in polyatomic molecules Journal of Chemical Physics. 73: 4329-4336. DOI: 10.1063/1.440715 |
0.38 |
|
| 1980 |
DePristo AE. A test of the adiabaticity and kinetic energy shift factors in the energy corrected sudden scaling theory Journal of Chemical Physics. 73: 3505-3506. DOI: 10.1063/1.440506 |
0.383 |
|
| 1980 |
DePristo AE. Collisional influences on vibration--rotation spectral line shapes: A scaling theoretical analysis and simplification Journal of Chemical Physics. 73: 2145-2155. DOI: 10.1063/1.440410 |
0.336 |
|
| 1980 |
DePristo AE, Rabitz H. The collision of two linear rotors: A scaling theoretical analysis of the H2–H2 and HF–HF systems The Journal of Chemical Physics. 72: 4685-4692. DOI: 10.1063/1.439804 |
0.357 |
|
| 1979 |
Alexander MH, DePristo AE. An adiabatically corrected sudden approximation for rotationally inelastic collisions between polar molecules The Journal of Physical Chemistry. 83: 1499-1505. DOI: 10.1021/J100474A027 |
0.512 |
|
| 1977 |
Alexander MH, DePristo AE. Symmetry considerations in the quantum treatment of collisions between two diatomic molecules Journal of Chemical Physics. 66: 2166-2172. DOI: 10.1063/1.434132 |
0.541 |
|
| 1977 |
DePristo AE, Alexander MH. Rotationally inelastic scattering of two HF molecules Journal of Chemical Physics. 66: 1334-1342. DOI: 10.1063/1.434028 |
0.605 |
|
| 1977 |
Alexander MH, Dagdigian PJ, DePristo AE. Quantum interpretation of fully state‐selected rotationally inelastic collision experiments The Journal of Chemical Physics. 66: 59-66. DOI: 10.1063/1.433611 |
0.527 |
|
| 1976 |
Alexander MH, DePristo AE. Fitting an ab initio HF–HF potential surface Journal of Chemical Physics. 65: 5009-5016. DOI: 10.1063/1.432934 |
0.563 |
|
| 1976 |
DePristo AE, Alexander MH. A decoupled l‐dominant approximation for ion–molecule and atom–molecule collisions Journal of Chemical Physics. 64: 3009-3013. DOI: 10.1063/1.432561 |
0.545 |
|
| 1976 |
Depristo AE, Alexander MH. Limits of validity of the decoupled l-dominant approximation Chemical Physics Letters. 44: 214-218. DOI: 10.1016/0009-2614(76)80493-9 |
0.542 |
|
| 1975 |
DePristo AE, Alexander MH. An l‐dominant simplification of the close‐coupled equations for collisions between atoms and diatomic molecules Journal of Chemical Physics. 63: 3552-3559. DOI: 10.1063/1.431794 |
0.561 |
|
| 1975 |
DePristo AE, Alexander MH. l‐dominant study of rotationally inelastic Li+–H2 collisions Journal of Chemical Physics. 63: 5327-5332. DOI: 10.1063/1.431337 |
0.566 |
|
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