Year |
Citation |
Score |
2011 |
Bae GT, Dellinger B, Hall RW. Density functional calculation of the structure and electronic properties of Cu(n)O(n) (n = 1-8) clusters. The Journal of Physical Chemistry. A. 115: 2087-95. PMID 21361346 DOI: 10.1021/Jp104177Q |
0.354 |
|
2008 |
Stevenson JD, Walczak AM, Hall RW, Wolynes PG. Constructing explicit magnetic analogies for the dynamics of glass forming liquids. The Journal of Chemical Physics. 129: 194505. PMID 19026064 DOI: 10.1063/1.3009827 |
0.671 |
|
2008 |
Hall RW, Wolynes PG. Intermolecular forces and the glass transition. The Journal of Physical Chemistry. B. 112: 301-12. PMID 17990867 DOI: 10.1021/Jp075017J |
0.521 |
|
2007 |
Wu FJ, Simeral LS, Mrse AA, Eilertsen JL, Negureanu L, Gan Z, Fronczek FR, Hall RW, Butler LG. Structural characterization of Al10O6iBu16(mu-H)2, a high aluminum content cluster: further studies of methylaluminoxane (MAO) and related aluminum complexes. Inorganic Chemistry. 46: 44-7. PMID 17198411 DOI: 10.1021/Ic060291Y |
0.39 |
|
2006 |
Negureanu L, Hall RW, Butler LG, Simeral LA. Methyaluminoxane (MAO) polymerization mechanism and kinetic model from ab initio molecular dynamics and electronic structure calculations. Journal of the American Chemical Society. 128: 16816-26. PMID 17177432 DOI: 10.1021/Ja064545Q |
0.338 |
|
2005 |
Xu YO, Hall RW, Goldstein RA, Pollock DD. Divergence, recombination and retention of functionality during protein evolution. Human Genomics. 2: 158-67. PMID 16197733 DOI: 10.1186/1479-7364-2-3-158 |
0.48 |
|
2005 |
Hall RW. Simulation of electronic and geometric degrees of freedom using a kink-based path integral formulation: application to molecular systems. The Journal of Chemical Physics. 122: 164112. PMID 15945677 DOI: 10.1063/1.1884945 |
0.383 |
|
2004 |
Bryant PL, Lukiw WJ, Gan Z, Hall RW, Butler LG. High-field 19.6T 27Al solid-state MAS NMR of in vitro aluminated brain tissue. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 170: 257-62. PMID 15388089 DOI: 10.1016/J.Jmr.2003.12.013 |
0.302 |
|
2004 |
Bobadova-Parvanova P, Oku Y, Wickramasinghe A, Hall RW, Vicente MGH. Ab initio and 1H NMR study of the Zn(II) complexes of a nido- and a closo-carboranylporphyrin Journal of Porphyrins and Phthalocyanines. 8: 996-1006. DOI: 10.1142/S1088424604000362 |
0.337 |
|
2003 |
Hall RW, Wolynes PG. Microscopic theory of network glasses. Physical Review Letters. 90: 085505. PMID 12633439 DOI: 10.1103/Physrevlett.90.085505 |
0.509 |
|
2003 |
Hall RW, Wolynes PG. Hall and Wolynes Reply: Physical Review Letters. 91. DOI: 10.1103/Physrevlett.91.159602 |
0.428 |
|
2002 |
Gascón JA, Hall RW, Ludewigt C, Haberland H. Structure of XeN + clusters (N=3-30): Simulation and experiment Journal of Chemical Physics. 117: 8391-8403. DOI: 10.1063/1.1512277 |
0.573 |
|
2002 |
Hall RW. An adaptive, kink-based approach to path integral calculations Journal of Chemical Physics. 116: 1-7. DOI: 10.1063/1.1423939 |
0.361 |
|
2002 |
Hall RW. Klink-based path integral calculations of atoms He-Ne Chemical Physics Letters. 362: 549-553. DOI: 10.1016/S0009-2614(02)01115-6 |
0.372 |
|
2001 |
Bryant PL, Harwell CR, Mrse AA, Emery EF, Gan Z, Caldwell T, Reyes AP, Kuhns P, Hoyt DW, Simeral LS, Hall RW, Butler LG. Structural characterization of MAO and related aluminum complexes. 1. Solid-state (27)Al NMR with comparison to EFG tensors from ab initio molecular orbital calculations. Journal of the American Chemical Society. 123: 12009-17. PMID 11724609 DOI: 10.1021/Ja011092A |
0.72 |
|
2001 |
Gascón JA, Hall RW. Absorption spectra and geometries of ArN + (N = 30-60) Journal of Physical Chemistry B. 105: 6579-6582. DOI: 10.1021/Jp0100102 |
0.585 |
|
2000 |
Gascon JA, Hall RW. Photoabsorption spectra of argon cation clusters: Monte Carlo simulations using many-body polarization Journal of Chemical Physics. 113: 7204-7210. DOI: 10.1063/1.1312825 |
0.554 |
|
2000 |
Kolchin AM, Hall RW. Electronic properties of small neutral and charged beryllium clusters Journal of Chemical Physics. 113: 4083-4092. DOI: 10.1063/1.1288388 |
0.676 |
|
1999 |
Madjoe RH, Koveshnikov AN, Harwell C, Hall R, Stockbauer RL, Kurtz RL. Changes in the Fermi surface at the magnetization reorientation transition in Fe/Cu(100) Journal of Applied Physics. 85: 6211-6213. DOI: 10.1063/1.370224 |
0.699 |
|
1999 |
Harwell CR, Mrse AA, Shelby AI, Butler LG, Hall RW. Ab Initio Calculation of81Br Nuclear Quadrupole Resonance Transition Frequencies for Brominated Aromatics (Flame Retardants) The Journal of Physical Chemistry A. 103: 8088-8092. DOI: 10.1021/Jp9915026 |
0.713 |
|
1999 |
Bryant PL, Harwell CR, Wu K, Fronczek FR, Hall RW, Butler LG. Single-Crystal 27 Al NMR of Andalusite and Calculated Electric Field Gradients: The First Complete NMR Assignment for a 5-Coordinate Aluminum Site Journal of Physical Chemistry A. 103: 5246-5252. DOI: 10.1021/Jp990374I |
0.725 |
|
1998 |
Morales GA, Faulkner J, Hall RW. Tight-binding simulations of argon cation clusters Journal of Chemical Physics. 109: 3418-3424. DOI: 10.1063/1.476937 |
0.41 |
|
1995 |
Prince MR, Hall RW. A non-atom-based orbital basis set for small sodium clusters Journal of Physical Chemistry. 99: 8562-8566. DOI: 10.1021/J100021A018 |
0.356 |
|
1992 |
Hall RW. Formally exact path integral Monte Carlo calculations using approximate projection operators The Journal of Chemical Physics. 97: 6481-6484. DOI: 10.1063/1.463709 |
0.329 |
|
1991 |
Hays SE, Hall RW. Determination of the vertical ionization potentials of small sodium clusters using path integral Monte Carlo calculations Journal of Physical Chemistry. 95: 8552-8554. DOI: 10.1021/J100175A027 |
0.362 |
|
1990 |
Hall RW. Path integral study of the correlated electronic states of Na 4-Na6 The Journal of Chemical Physics. 93: 8211-8219. DOI: 10.1063/1.459299 |
0.391 |
|
1989 |
Hall RW. Comparison of path integral and density functional techniques in a model two-electron system Journal of Physical Chemistry. 93: 5628-5632. DOI: 10.1021/J100351A058 |
0.315 |
|
1989 |
Hall RW. Finite temperature effects in Na3 + and Na3: A path integral Monte Carlo study Chemical Physics Letters. 160: 520-525. DOI: 10.1016/0009-2614(89)80056-9 |
0.349 |
|
1988 |
Hall RW. The treatment of exchange in path integral simulations via an approximate pseudopotential The Journal of Chemical Physics. 89: 4212-4215. DOI: 10.1063/1.454805 |
0.337 |
|
1987 |
Hall RW, Wolynes PG. The aperiodic crystal picture and free energy barriers in glasses The Journal of Chemical Physics. 86: 2943-2948. DOI: 10.1063/1.452045 |
0.494 |
|
1986 |
Hall RW, Wolynes PG. Quantum Monte Carlo study of a lattice-atom model for excitonic fluids. Physical Review. B, Condensed Matter. 33: 7879-7881. PMID 9938177 DOI: 10.1103/Physrevb.33.7879 |
0.422 |
|
1986 |
Hall RW, Wolynes PG. G. N. Lewis' atom and quantum Monte Carlo studies of liquids Journal of Statistical Physics. 43: 935-948. DOI: 10.1007/Bf02628321 |
0.523 |
|
1985 |
Hall RW, Wolynes PG. Solvent influence on atomic spectra: The effect of finite size The Journal of Chemical Physics. 83: 3214-3221. DOI: 10.1063/1.449179 |
0.536 |
|
1984 |
Hall RW, Berne BJ. Nonergodicity in path integral molecular dynamics The Journal of Chemical Physics. 81: 3641-3643. DOI: 10.1063/1.448112 |
0.498 |
|
1984 |
Thirumalai D, Hall RW, Berne BJ. A path integral Monte Carlo study of liquid neon and the quantum effective pair potential The Journal of Chemical Physics. 81: 2523-2527. DOI: 10.1063/1.447985 |
0.606 |
|
Show low-probability matches. |