| Year |
Citation |
Score |
| 2019 |
Crain J, Clark SJ, Ackland GJ, Payne MC, Milman V, Hatton PD, Reid BJ. Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment. Physical Review. B, Condensed Matter. 49: 5329-5340. PMID 10011485 DOI: 10.1103/Physrevb.49.5329 |
0.588 |
|
| 2017 |
Newns DM, Kuroda MA, Cipcigan FS, Crain J, Martyna GJ. High-response piezoelectricity modeled quantitatively near a phase boundary Applied Physics Letters. 110: 22904. DOI: 10.1063/1.4973754 |
0.326 |
|
| 2016 |
Cipcigan FS, Sokhan VP, Crain J, Martyna GJ. Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed Journal of Computational Physics. 326: 222-233. DOI: 10.1016/J.Jcp.2016.08.030 |
0.308 |
|
| 2015 |
Sokhan VP, Jones AP, Cipcigan FS, Crain J, Martyna GJ. Signature properties of water: Their molecular electronic origins. Proceedings of the National Academy of Sciences of the United States of America. 112: 6341-6. PMID 25941394 DOI: 10.1073/Pnas.1418982112 |
0.342 |
|
| 2015 |
Cipcigan FS, Sokhan VP, Jones AP, Crain J, Martyna GJ. Hydrogen bonding and molecular orientation at the liquid-vapour interface of water. Physical Chemistry Chemical Physics : Pccp. 17: 8660-9. PMID 25715668 DOI: 10.1039/C4Cp05506C |
0.307 |
|
| 2013 |
Jones A, Cipcigan F, Sokhan VP, Crain J, Martyna GJ. Electronically coarse-grained model for water. Physical Review Letters. 110: 227801. PMID 23767748 DOI: 10.1103/Physrevlett.110.227801 |
0.319 |
|
| 2013 |
Jones AP, Crain J, Sokhan VP, Whitfield TW, Martyna GJ. Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.144103 |
0.331 |
|
| 2010 |
Dougan L, Crain J, Finney JL, Soper AK. Molecular self-assembly in a model amphiphile system. Physical Chemistry Chemical Physics : Pccp. 12: 10221-9. PMID 20539889 DOI: 10.1039/C003407J |
0.637 |
|
| 2008 |
Troitzsch RZ, Tulip PR, Crain J, Martyna GJ. A simplified model of local structure in aqueous proline amino acid revealed by first-principles molecular dynamics simulations. Biophysical Journal. 95: 5014-20. PMID 18790850 DOI: 10.1529/Biophysj.108.134916 |
0.328 |
|
| 2008 |
Troitzsch RZ, Vass H, Hossack WJ, Martyna GJ, Crain J. Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 4290-7. PMID 18341318 DOI: 10.1021/Jp076713M |
0.321 |
|
| 2008 |
Hatton PD, Crain J, Kawamura H, Akahama Y. Comparative studies of rotating anode and synchrotron‐based image plate systems High‐Pressure Science and Technology. 309: 1699-1702. DOI: 10.1063/1.46154 |
0.56 |
|
| 2008 |
Hatton PD, Crain J, Ackland GJ, Clark SJ, Piltz RO. Metastable structures of tetrahedral semiconductors High‐Pressure Science and Technology. 309: 549-552. DOI: 10.1063/1.46095 |
0.621 |
|
| 2007 |
Troitzsch RZ, Martyna GJ, McLain SE, Soper AK, Crain J. Structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction. The Journal of Physical Chemistry. B. 111: 8210-22. PMID 17592868 DOI: 10.1021/Jp0714973 |
0.345 |
|
| 2006 |
Allison SK, Bates SP, Crain J, Martyna GJ. Solution structure of the aqueous model peptide N-methylacetamide. The Journal of Physical Chemistry. B. 110: 21319-26. PMID 17048961 DOI: 10.1021/Jp064154Y |
0.305 |
|
| 2006 |
Whitfield TW, Crain J, Martyna GJ. Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics. The Journal of Chemical Physics. 124: 94503. PMID 16526863 DOI: 10.1063/1.2150432 |
0.356 |
|
| 2006 |
Soper AK, Dougan L, Crain J, Finney JL. Excess entropy in alcohol-water solutions: a simple clustering explanation. The Journal of Physical Chemistry. B. 110: 3472-6. PMID 16494400 DOI: 10.1021/Jp054556Q |
0.616 |
|
| 2005 |
Dougan L, Hargreaves R, Bates SP, Finney JL, Réat V, Soper AK, Crain J. Segregation in aqueous methanol enhanced by cooling and compression. The Journal of Chemical Physics. 122: 174514. PMID 15910052 DOI: 10.1063/1.1888405 |
0.636 |
|
| 2004 |
Dougan L, Crain J, Vass H, Magennis SW. Probing the liquid-state structure and dynamics of aqueous solutions by fluorescence spectroscopy. Journal of Fluorescence. 14: 91-7. PMID 15622867 DOI: 10.1023/B:Jofl.0000014666.03818.A4 |
0.623 |
|
| 2004 |
Dougan L, Bates SP, Hargreaves R, Fox JP, Crain J, Finney JL, Reat V, Soper AK. Methanol-water solutions: a bi-percolating liquid mixture. The Journal of Chemical Physics. 121: 6456-62. PMID 15446945 DOI: 10.1063/1.1789951 |
0.638 |
|
| 2004 |
Cleaver J, Vollmer D, Crain J, Poon W. Self-Supporting Liquid Crystal Composite Molecular Crystals and Liquid Crystals. 409: 59-68. DOI: 10.1080/15421400490435666 |
0.324 |
|
| 2003 |
Vass H, Edington D, Crain J. Optical spectroscopy of simple aqueous solutions under extreme conditions Journal of Chemical Physics. 118: 11066-11072. DOI: 10.1063/1.1576215 |
0.324 |
|
| 2002 |
Dixit S, Crain J, Poon WC, Finney JL, Soper AK. Molecular segregation observed in a concentrated alcohol-water solution. Nature. 416: 829-32. PMID 11976678 DOI: 10.1038/416829A |
0.313 |
|
| 2002 |
Dixit S, Soper AK, Finney JL, Crain J. Water structure and solute association in dilute aqueous methanol Europhysics Letters (Epl). 59: 377-383. DOI: 10.1209/Epl/I2002-00205-7 |
0.351 |
|
| 2001 |
Nakamura H, Meeker SP, Taira Y, Poon W, Crain J. Optical Properties of Colloid Liquid Crystal Composites Molecular Crystals and Liquid Crystals. 368: 167-174. DOI: 10.1080/10587250108029943 |
0.303 |
|
| 2001 |
Moon C, Pawley GS, Crain J. Reorientational motion in binary mixtures: molecular dynamics simulations Molecular Physics. 99: 2037-2044. DOI: 10.1080/00268970110088640 |
0.36 |
|
| 2001 |
Anderson V, Terentjev E, Meeker S, Crain J, Poon W. Cellular solid behaviour of liquid crystal colloids 1. Phase separation and morphology The European Physical Journal E. 4: 11-20. DOI: 10.1007/Pl00013680 |
0.365 |
|
| 2000 |
Clark SJ, Markwick PRL, Ackland G, Crain J. Short-time reorientational processes in molecular fluids Epl. 49: 34-40. DOI: 10.1209/Epl/I2000-00116-1 |
0.314 |
|
| 2000 |
Richardson PR, Bates SP, Crain J, Jones AC. Structure and properties of isolated liquid crystal molecules: jet spectroscopy and ab initio calculations of 4-cyanobiphenyl Liquid Crystals. 27: 845-850. DOI: 10.1080/026782900202345 |
0.371 |
|
| 1999 |
Adam CJ, Ferrarini A, Wilson MR, Ackland GJ, Crain J. A first principles and mean field investigation of the conformational properties of 5CB Molecular Physics. 97: 541-550. DOI: 10.1080/00268979909482853 |
0.305 |
|
| 1999 |
Farok HM, Saunders GA, Poon W, Crain J, Vass H, Honle W, Schonherr E. Comparison between crystal field effects on the fluorescence spectra of crystalline SmP5O14 and vitreous (Sm2O3)(0.248)(P2O5)(0.752) Journal of Materials Science. 34: 2389-2400. DOI: 10.1023/A:1004502430642 |
0.344 |
|
| 1999 |
Crain J, Clark SJ. Calculation of Structure and Dynamical Properties of Liquid Crystal Molecules Structure and Bonding. 1-40. DOI: 10.1007/3-540-68305-4_1 |
0.348 |
|
| 1998 |
Clark SJ, Ackland GJ, Crain J. Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB Europhysics Letters. 44: 578-584. DOI: 10.1209/Epl/I1998-00512-5 |
0.327 |
|
| 1998 |
Hsueh HC, Chen RK, Vass H, Clark SJ, Ackland G, Poon W, Crain J. Compression Mechanisms In Quasimolecular Xi3 (X=As, Sb, Bi) Solids Physical Review B. 58: 14812-14822. DOI: 10.1103/Physrevb.58.14812 |
0.403 |
|
| 1998 |
Karki BB, Crain J. First‐principles determination of elastic properties of CaSiO3 perovskite at lower mantle pressures Geophysical Research Letters. 25: 2741-2744. DOI: 10.1029/98Gl51952 |
0.327 |
|
| 1998 |
Karki BB, Crain J. Structure and elasticity of CaO at high pressure Journal of Geophysical Research. 103: 12405-12411. DOI: 10.1029/97Jb03674 |
0.397 |
|
| 1997 |
Karki B, Stixrude L, Clark S, Warren M, Ackland G, Crain J. Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures American Mineralogist. 82: 635-638. DOI: 10.2138/Am-1997-5-623 |
0.342 |
|
| 1997 |
Karki BB, Stixrude L, Clark SJ, Warren MC, Ackland G, Crain J. Structure and elasticity of MgO at high pressure American Mineralogist. 82: 51-60. DOI: 10.2138/Am-1997-1-207 |
0.389 |
|
| 1997 |
Hsueh HC, Vass H, Pu FN, Clark SJ, Poon WCK, Crain J. Low-frequency dynamics of liquid crystals Epl. 38: 107-112. DOI: 10.1209/Epl/I1997-00209-3 |
0.329 |
|
| 1997 |
Adam CJ, Clark SJ, Crain J. Structure, dynamics and molecular properties of liquid crystals molecules and fragments from first principles computer simulations performed on Cray T3D Proceedings of Spie - the International Society For Optical Engineering. 3318: 171-174. DOI: 10.1117/12.299963 |
0.351 |
|
| 1997 |
Clark SJ, Ackland GJ, Crain J. Electronic structure calculations of liquid crystal molecules: Application to chiral solutes Proceedings of Spie - the International Society For Optical Engineering. 3318: 166-170. DOI: 10.1117/12.299962 |
0.378 |
|
| 1997 |
Adam CJ, Clark SJ, Ackland GJ, Crain J. Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles Physical Review E. 55: 5641-5649. DOI: 10.1103/Physreve.55.5641 |
0.355 |
|
| 1997 |
Karki B, Warren M, Stixrude L, Ackland G, Crain J. Ab initio studies of high-pressure structural transformations in silica (vol 55, pg 3465, 1997) Physical Review B. 56: 2884-2884. DOI: 10.1103/Physrevb.56.2884 |
0.374 |
|
| 1997 |
Karki BB, Warren MC, Stixrude L, Ackland G, Crain J. Ab initio studies of high-pressure structural transformations in silica Physical Review B. 55: 3465-3471. DOI: 10.1103/Physrevb.55.3465 |
0.445 |
|
| 1997 |
Karki BB, Ackland GJ, Crain J. Elastic instabilities in crystals from ab initio stress-strain relations Journal of Physics Condensed Matter. 9: 8579-8589. DOI: 10.1088/0953-8984/9/41/005 |
0.401 |
|
| 1997 |
Clark S, Adam C, Ackland G, Crain J. Conformation energy surface for liquid crystal molecules from first principles : Application to 5CB Molecular Crystals and Liquid Crystals. 299: 39-44. DOI: 10.1080/10587259708041971 |
0.336 |
|
| 1997 |
Clark SJ, Adam CJ, Hsueh HC, Pu F, Crain J. Vibrational Properties of Liquid Crystal Molecules from AB Initio Computer Simulation Molecular Crystals and Liquid Crystals. 302: 433-438. DOI: 10.1080/10587259708041859 |
0.309 |
|
| 1997 |
Clark S, Adam C, Ackland G, White J, Crain J. Properties of liquid crystal molecules from first principles computer simulation Liquid Crystals. 22: 469-475. DOI: 10.1080/026782997209199 |
0.326 |
|
| 1997 |
Karki BB, Stixrude L, Crain J. Ab initio elasticity of three high-pressure polymorphs of silica Geophysical Research Letters. 24: 3269-3272. DOI: 10.1029/97Gl53196 |
0.372 |
|
| 1996 |
Meclean J, Hatton PD, Crain J, Piltz RO, Clark SJ, Cernik RJ. Structural Refinement and Stability of Silicon XII Materials Science Forum. 595-600. DOI: 10.4028/Www.Scientific.Net/Msf.228-231.595 |
0.593 |
|
| 1996 |
Hsueh HC, Poon WCK, Vass H, Crain J. Pressure-induced electron transfer in quasi-molecular solids Europhysics Letters. 35: 689-694. DOI: 10.1209/Epl/I1996-00171-0 |
0.384 |
|
| 1995 |
Piltz RO, Maclean JR, Clark SJ, Ackland GJ, Hatton PD, Crain J. Structure and properties of silicon XII: A complex tetrahedrally bonded phase. Physical Review. B, Condensed Matter. 52: 4072-4085. PMID 9981533 DOI: 10.1103/Physrevb.52.4072 |
0.591 |
|
| 1995 |
Crain J, Piltz RO, Ackland GJ, Clark SJ, Payne MC, Milman V, Lin JS, Hatton PD, Nam YH. Erratum: Tetrahedral structures and phase transitions in III-V semiconductors Physical Review. B, Condensed Matter. 52: 16936. PMID 9981104 DOI: 10.1103/Physrevb.52.16936 |
0.607 |
|
| 1995 |
Hsueh HC, Vass H, Clark SJ, Ackland GJ, Crain J. High-pressure effects in the layered semiconductor germanium selenide Physical Review B. 51: 16750-16760. PMID 9978682 DOI: 10.1103/Physrevb.51.16750 |
0.409 |
|
| 1995 |
Hsueh HC, Maclean JR, Guo GY, Lee MH, Clark SJ, Ackland GJ, Crain J. Pressure-induced polymorphism in CuCl: An ab initio study. Physical Review. B, Condensed Matter. 51: 12216-12222. PMID 9977991 DOI: 10.1103/Physrevb.51.12216 |
0.325 |
|
| 1995 |
Hsueh HC, Vass H, Clark SJ, Crain J. Breakdown of Rigid-Unit Vibrations in Layered Semiconductors under Pressure: Application to Germanium Sulfide Epl. 31: 151-155. DOI: 10.1209/0295-5075/31/3/005 |
0.348 |
|
| 1995 |
Clark SJ, Ackland GJ, Crain J. Theoretical stability limit of diamond at ultrahigh pressure Physical Review B. 52: 15035-15038. DOI: 10.1103/Physrevb.52.15035 |
0.428 |
|
| 1995 |
Crain J, Ackland GJ, Clark SJ. Exotic structures of tetrahedral semiconductors Reports On Progress in Physics. 58: 705-754. DOI: 10.1088/0034-4885/58/7/001 |
0.45 |
|
| 1995 |
Maclean J, Hatton PD, Piltz RO, Crain J, Cernik RJ. Structural studies of semiconductors at very high pressures Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions With Materials and Atoms. 97: 354-357. DOI: 10.1016/0168-583X(95)00277-4 |
0.634 |
|
| 1995 |
Crain J, Ackland GJ, Piltz RO, Hatton PD, Clark SJ. Dense tetrahedral structures of compound semiconductors Journal of Physics and Chemistry of Solids. 56: 495-500. DOI: 10.1016/0022-3697(94)00230-4 |
0.633 |
|
| 1994 |
Crain J, Ackland GJ, Maclean JR, Piltz RO, Hatton PD, Pawley GS. Reversible pressure-induced structural transitions between metastable phases of silicon. Physical Review. B, Condensed Matter. 50: 13043-13046. PMID 9975487 DOI: 10.1103/Physrevb.50.13043 |
0.642 |
|
| 1994 |
Crain J, Piltz RO, Ackland GJ, Clark SJ, Payne MC, Milman V, Lin JS, Hatton PD, Nam YH. Tetrahedral structures and phase transitions in III-V semiconductors. Physical Review. B, Condensed Matter. 50: 8389-8401. PMID 9974857 DOI: 10.1103/Physrevb.50.8389 |
0.607 |
|
| 1993 |
Crain J, Ackland GJ, Piltz RO, Hatton PD. Phase-transition-induced defect formation in III-V semiconductors. Physical Review Letters. 70: 814-817. PMID 10054210 DOI: 10.1103/Physrevlett.70.814 |
0.629 |
|
| 1993 |
Nelmes RJ, McMahon MI, Hatton PD, Crain J, Piltz RO. Erratum: Phase transitions in InSb at pressures up to 5 GPa Physical Review. B, Condensed Matter. 48: 9949-9952. PMID 10007268 DOI: 10.1103/Physrevb.48.9949 |
0.629 |
|
| 1993 |
Nelmes RJ, McMahon MI, Hatton PD, Crain J, Piltz RO. Phase transitions in InSb at pressures up to 5 GPa. Physical Review. B, Condensed Matter. 47: 35-54. PMID 10004414 DOI: 10.1103/Physrevb.47.35 |
0.623 |
|
| 1993 |
Guo GY, Crain J, Temmerman WM. On the High Pressure Phases of InSb Japanese Journal of Applied Physics. 32: 39-41. DOI: 10.7567/Jjaps.32S1.39 |
0.384 |
|
| 1993 |
Crain J, Ackland GJ, Hatton PD, McMahon MI, Nelmes RJ, Piltz RO. Image Plate Studies of Tetrahedral Semiconductors Under Pressure : The Implication for Experiment and Theory Japanese Journal of Applied Physics. 32: 36-38. DOI: 10.7567/Jjaps.32S1.36 |
0.653 |
|
| 1993 |
Nelmes RJ, McMahon MI, Hatton PD, Piltz RO, Crain J. New Structural Results for the High-Pressure Phases of InSb Japanese Journal of Applied Physics. 32: 1-5. DOI: 10.7567/Jjaps.32S1.1 |
0.613 |
|
| 1993 |
Wilding NB, Crain J, Hatton PD, Bushnell-Wye G. Structural studies of cyclohexane IV Acta Crystallographica Section B-Structural Science. 49: 320-328. DOI: 10.1107/S0108768192007547 |
0.646 |
|
| 1992 |
Hatton PD, McMahon MI, Piltz RO, Crain J, Nelmes RJ. Crystal structure refinement at high pressures using angle-dispersive powder diffraction techniques High Pressure Research. 9: 194-204. DOI: 10.1080/08957959208245634 |
0.621 |
|
| 1992 |
Nelmes RJ, Mcmahon MI, Hatton PD, Piltz RO, Crain J, Cernik RJ, Bushnell-Wye G. Angle-dispersive powder diffraction at high pressure using an image-plate area detector High Pressure Research. 8: 677-684. DOI: 10.1080/08957959208206319 |
0.619 |
|
| 1992 |
Nelmes RJ, Hatton PD, McMahon MI, Piltz RO, Crain J, Cernik RJ, Bushnell‐Wye G. Angle‐dispersive powder‐diffraction techniques for crystal structure refinement at high pressure Review of Scientific Instruments. 63: 1039-1042. DOI: 10.1063/1.1143193 |
0.614 |
|
| 1992 |
Piltz RO, McMahon MI, Crain J, Hatton PD, Nelmes RJ, Cernik RJ, Bushnell‐Wye G. An imaging plate system for high‐pressure powder diffraction: The data processing side Review of Scientific Instruments. 63: 700-703. DOI: 10.1063/1.1142641 |
0.571 |
|
| 1992 |
Crain J, Poon WCK, Cairns-Smith A, Hatton PD. High-pressure Raman spectroscopic study of cyclohexane C6H12 and C6D12 The Journal of Physical Chemistry. 96: 8168-8173. DOI: 10.1021/J100199A064 |
0.623 |
|
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