| Year |
Citation |
Score |
| 2023 |
Atceken N, Hemingway J, Bull CL, Liu X, Michalchuk AAL, Konar S, Morrison CA, Pulham CR. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1-pyrazole. Physical Chemistry Chemical Physics : Pccp. PMID 37986575 DOI: 10.1039/d3cp04526a |
0.563 |
|
| 2023 |
Morris E, Pulham CR, Morrison CA. Structure and properties of nitrocellulose: approaching 200 years of research. Rsc Advances. 13: 32321-32333. PMID 37928838 DOI: 10.1039/d3ra05457h |
0.526 |
|
| 2023 |
Warren LR, Rowell A, McMaster P, Pulham CR, Morrison CA. Accounting for super-, plateau- and mesa-rate burning by lead and copper-based ballistic modifiers in double-base propellants: a computational study. Physical Chemistry Chemical Physics : Pccp. PMID 37646274 DOI: 10.1039/d3cp03197g |
0.472 |
|
| 2023 |
Christopher IL, Pulham CR, Michalchuk AAL, Morrison CA. Is the impact sensitivity of RDX polymorph dependent? The Journal of Chemical Physics. 158: 124115. PMID 37003752 DOI: 10.1063/5.0145259 |
0.534 |
|
| 2021 |
Michalchuk AAL, Rudić S, Pulham CR, Morrison CA. Predicting the impact sensitivity of a polymorphic high explosive: the curious case of FOX-7. Chemical Communications (Cambridge, England). 57: 11213-11216. PMID 34622890 DOI: 10.1039/d1cc03906g |
0.506 |
|
| 2021 |
Christopher IL, Michalchuk AAL, Pulham CR, Morrison CA. Towards Computational Screening for New Energetic Molecules: Calculation of Heat of Formation and Determination of Bond Strengths by Local Mode Analysis. Frontiers in Chemistry. 9: 726357. PMID 34354982 DOI: 10.3389/fchem.2021.726357 |
0.562 |
|
| 2020 |
Warren LR, Pulham CR, Morrison CA. Towards understanding the catalytic properties of lead-based ballistic modifiers in double base propellants. Physical Chemistry Chemical Physics : Pccp. PMID 33146641 DOI: 10.1039/d0cp05172a |
0.542 |
|
| 2020 |
Richardson JG, Benjamin H, Moggach SA, Warren LR, Warren MR, Allan DR, Saunders LK, Morrison CA, Robertson N. Probing the structural and electronic response of Magnus green salt compounds [Pt(NHR)][PtCl] (R = H, CH) to pressure. Physical Chemistry Chemical Physics : Pccp. PMID 32725010 DOI: 10.1039/D0Cp03280H |
0.375 |
|
| 2020 |
Benjamin H, Richardson JG, Moggach SA, Afanasjevs S, Warren L, Warren MR, Allan DR, Morrison CA, Kamenev KV, Robertson N. Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical Chemistry Chemical Physics : Pccp. PMID 32159533 DOI: 10.1039/C9Cp06749C |
0.343 |
|
| 2019 |
Michalchuk AAL, Trestman M, Rudić S, Portius P, Fincham PT, Pulham CR, Morrison CA. Predicting the reactivity of energetic materials: an ab initio multi-phonon approach Journal of Materials Chemistry. 7: 19539-19553. DOI: 10.1039/C9Ta06209B |
0.588 |
|
| 2019 |
Konar S, Michalchuk AAL, Sen N, Bull CL, Morrison CA, Pulham CR. High-Pressure Study of Two Polymorphs of 2,4,6-Trinitrotoluene Using Neutron Powder Diffraction and Density Functional Theory Methods Journal of Physical Chemistry C. 123: 26095-26105. DOI: 10.1021/Acs.Jpcc.9B07658 |
0.606 |
|
| 2018 |
Michalchuk AAL, Rudić S, Pulham CR, Morrison CA. Vibrationally induced metallisation of the energetic azide α-NaN. Physical Chemistry Chemical Physics : Pccp. PMID 30430160 DOI: 10.1039/C8Cp06161K |
0.58 |
|
| 2018 |
Li T, Wang Q, Nichol GS, Morrison CA, Han H, Hu Y, Robertson N. Extending lead-free hybrid photovoltaic materials to new structures: thiazolium, aminothiazolium and imidazolium iodobismuthates. Dalton Transactions (Cambridge, England : 2003). PMID 29741166 DOI: 10.1039/C8Dt00864G |
0.301 |
|
| 2018 |
Hobday CL, Woodall CH, Lennox MJ, Frost M, Kamenev K, Düren T, Morrison CA, Moggach SA. Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling. Nature Communications. 9: 1429. PMID 29650966 DOI: 10.1038/S41467-018-03878-6 |
0.365 |
|
| 2018 |
Zakharov BA, Michalchuk AAL, Morrison CA, Boldyreva EV. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical Chemistry Chemical Physics : Pccp. PMID 29537423 DOI: 10.1039/C7Cp08609A |
0.353 |
|
| 2018 |
Michalchuk AAL, Fincham PT, Portius P, Pulham CR, Morrison CA. A Pathway to the Athermal Impact Initiation of Energetic Azides Journal of Physical Chemistry C. 122: 19395-19408. DOI: 10.1021/Acs.Jpcc.8B05285 |
0.581 |
|
| 2017 |
Hobday CL, Bennett TD, Fairen-Jimenez D, Graham AJ, Morrison CA, Allan DR, Düren T, Moggach SA. Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society. PMID 29226672 DOI: 10.1021/Jacs.7B10897 |
0.362 |
|
| 2017 |
Connor LE, Morrison CA, Oswald IDH, Pulham CR, Warren MR. Carbon dioxide binary crystals via the thermal decomposition of RDX at high pressure. Chemical Science. 8: 4872-4878. PMID 28959411 DOI: 10.1039/C7Sc01379E |
0.568 |
|
| 2017 |
Xian R, Corthey G, Rogers DM, Morrison CA, Prokhorenko VI, Hayes SA, Miller RJD. Coherent ultrafast lattice-directed reaction dynamics of triiodide anion photodissociation. Nature Chemistry. 9: 516-522. PMID 28537597 DOI: 10.1038/Nchem.2751 |
0.309 |
|
| 2017 |
Michalchuk AAL, Piggott S, Lapsanska I, Pulham C, Morrison C. The big bang theory: predicting energetic materials properties Acta Crystallographica Section A. 73. DOI: 10.1107/S205327331708799X |
0.531 |
|
| 2017 |
MacRuary KJ, Gordon RJ, Grant RA, Woollam S, Ellis RJ, Tasker PA, Love JB, Morrison CA. On the Extraction of HCl and H2PtCl6 by Tributyl Phosphate: A Mode of Action Study Solvent Extraction and Ion Exchange. 35: 531-548. DOI: 10.1080/07366299.2017.1379724 |
0.313 |
|
| 2017 |
Li T, Hu Y, Morrison CA, Wu W, Han H, Robertson N. Lead-free Pseudo-three-dimensional Organic-inorganic Iodobismuthates for Photovoltaic Applications Sustainable Energy and Fuels. 1: 308-316. DOI: 10.1039/C6Se00061D |
0.336 |
|
| 2017 |
Szilágyi PÁ, Hunter S, Morrison CA, Tang CC, Pulham CR. Pressure-induced structural changes in methylamine borane and dimethylamine borane Journal of Alloys and Compounds. 722: 953-961. DOI: 10.1016/J.Jallcom.2017.06.174 |
0.599 |
|
| 2016 |
Liu M, Chen L, Lewis S, Chong SY, Little MA, Hasell T, Aldous IM, Brown CM, Smith MW, Morrison CA, Hardwick LJ, Cooper AI. Three-dimensional protonic conductivity in porous organic cage solids. Nature Communications. 7: 12750. PMID 27619230 DOI: 10.1038/Ncomms12750 |
0.302 |
|
| 2016 |
Doidge ED, Carson I, Tasker PA, Ellis RJ, Morrison CA, Love JB. A Simple Primary Amide for the Selective Recovery of Gold from Secondary Resources. Angewandte Chemie (International Ed. in English). PMID 27554437 DOI: 10.1002/Anie.201606113 |
0.304 |
|
| 2016 |
Hobday CL, Marshall RJ, Murphie CF, Sotelo J, Richards T, Allan DR, Düren T, Coudert FX, Forgan RS, Morrison CA, Moggach SA, Bennett TD. A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks. Angewandte Chemie (International Ed. in English). 55: 2401-5. PMID 26797762 DOI: 10.1002/Anie.201509352 |
0.371 |
|
| 2016 |
Healy MR, Roebuck JW, Doidge ED, Emeleus LC, Bailey PJ, Campbell J, Fischmann AJ, Love JB, Morrison CA, Sassi T, White DJ, Tasker PA. Contributions of inner and outer coordination sphere bonding in determining the strength of substituted phenolic pyrazoles as copper extractants. Dalton Transactions (Cambridge, England : 2003). PMID 26763168 DOI: 10.1039/C5Dt04055H |
0.31 |
|
| 2016 |
Marshall RJ, Hobday CL, Murphie CF, Griffin SL, Morrison CA, Moggach SA, Forgan RS. Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal-organic frameworks Journal of Materials Chemistry A. 4: 6955-6963. DOI: 10.1039/C5Ta10401G |
0.319 |
|
| 2016 |
McKellar SC, Sotelo J, Greenaway A, Mowat JPS, Kvam O, Morrison CA, Wright PA, Moggach SA. Pore Shape Modification of a Microporous Metal-Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials. 28: 466-473. DOI: 10.1021/Acs.Chemmater.5B02891 |
0.356 |
|
| 2015 |
Stevens CJ, Prescimone A, Tuna F, McInnes EJ, Parsons S, Morrison CA, Arnold PL, Love JB. Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation. Inorganic Chemistry. PMID 26683991 DOI: 10.1021/Acs.Inorgchem.5B02151 |
0.327 |
|
| 2015 |
Kochman MA, Tajti A, Morrison CA, Miller RJ. Early Events in the Nonadiabatic Relaxation Dynamics of 4-(N,N-Dimethylamino)benzonitrile. Journal of Chemical Theory and Computation. 11: 1118-28. PMID 26579762 DOI: 10.1021/Ct5010609 |
0.348 |
|
| 2015 |
Healy MR, Carter E, Fallis IA, Forgan RS, Gordon RJ, Kamenetzky E, Love JB, Morrison CA, Murphy DM, Tasker PA. EPR/ENDOR and Computational Study of Outer Sphere Interactions in Copper Complexes of Phenolic Oximes. Inorganic Chemistry. 54: 8465-73. PMID 26288384 DOI: 10.1021/Acs.Inorgchem.5B01180 |
0.313 |
|
| 2015 |
Hunter S, Coster PL, Davidson AJ, Millar DIA, Parker SF, Marshall WG, Smith RI, Morrison CA, Pulham CR. High-pressure experimental and DFT-D structural studies of the energetic material FOX-7 Journal of Physical Chemistry C. 119: 2322-2334. DOI: 10.1021/Jp5110888 |
0.613 |
|
| 2014 |
Binns J, Healy MR, Parsons S, Morrison CA. Assessing the performance of density functional theory in optimizing molecular crystal structure parameters. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 70: 259-67. PMID 24675595 DOI: 10.1107/S205252061303268X |
0.346 |
|
| 2014 |
Pulham C, Coster P, Henderson C, Hunter S, Kleppe A, Marshall W, Morrison C. Pressure-induced phase transitions in energetic materials Acta Crystallographica Section A. 70. DOI: 10.1107/S2053273314097381 |
0.615 |
|
| 2014 |
Rychkov D, Boldyreva E, Kovalskii V, Hunter S, Pulham C, Morrison C. Serotonin in different compounds: crystallographic and computational insight Acta Crystallographica Section A. 70. DOI: 10.1107/S2053273314090810 |
0.517 |
|
| 2014 |
Bil A, Hutter J, Morrison CA. Electron transfer modifies chemical properties of C70 fullerene surface: An ab initio molecular dynamics study of C70O3 molozonides doped with light atoms Chemical Physics Letters. 605: 93-97. DOI: 10.1016/J.Cplett.2014.05.025 |
0.308 |
|
| 2014 |
Bil A, Latajka Z, Hutter J, Morrison CA. Describing the chemical bonding in C70 and C70O 3 - A quantum chemical topology study Chemical Physics. 433: 22-30. DOI: 10.1016/J.Chemphys.2014.02.003 |
0.304 |
|
| 2013 |
Sieffert N, Bühl M, Gaigeot MP, Morrison CA. Liquid Methanol from DFT and DFT/MM Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 9: 106-18. PMID 26589014 DOI: 10.1021/Ct300784X |
0.339 |
|
| 2013 |
Jean-Ruel H, Gao M, Kochman MA, Lu C, Liu LC, Cooney RR, Morrison CA, Miller RJ. Ring-closing reaction in diarylethene captured by femtosecond electron crystallography. The Journal of Physical Chemistry. B. 117: 15894-902. PMID 24117385 DOI: 10.1021/Jp409245H |
0.307 |
|
| 2013 |
Chen L, Mowat JP, Fairen-Jimenez D, Morrison CA, Thompson SP, Wright PA, Düren T. Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray powder diffraction experiments. Journal of the American Chemical Society. 135: 15763-73. PMID 23731240 DOI: 10.1021/Ja403453G |
0.355 |
|
| 2013 |
Kochman MA, Bil A, Morrison CA. Hybrid QM/QM simulations of photochemical reactions in the molecular crystal N-salicylidene-2-chloroaniline. Physical Chemistry Chemical Physics : Pccp. 15: 10803-16. PMID 23694956 DOI: 10.1039/C3Cp51263K |
0.308 |
|
| 2013 |
Reilly AM, Wann DA, Gutmann MJ, Jura M, Morrison CA, Rankin DWH. Predicting anisotropic displacement parameters using molecular dynamics: Density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography. 46: 656-662. DOI: 10.1107/S0021889813006225 |
0.349 |
|
| 2013 |
Hunter S, Sutinen T, Parker SF, Morrison CA, Williamson DM, Thompson S, Gould PJ, Pulham CR. Experimental and DFT-D studies of the molecular organic energetic material RDX Journal of Physical Chemistry C. 117: 8062-8071. DOI: 10.1021/Jp4004664 |
0.557 |
|
| 2013 |
Kochman MA, Morrison CA. Hybrid QM/QM simulations of excited-state intramolecular proton transfer in the molecular crystal 7-(2-pyridyl)-indole Journal of Chemical Theory and Computation. 9: 1182-1192. DOI: 10.1021/Ct3008149 |
0.33 |
|
| 2012 |
Bil A, Morrison CA. Modifying the fullerene surface using endohedral noble gas atoms: density functional theory based molecular dynamics study of C70O3. The Journal of Physical Chemistry. A. 116: 3413-9. PMID 22409239 DOI: 10.1021/Jp210529Y |
0.309 |
|
| 2012 |
Moggach SA, Graham AJ, Muszkiewicz A, Morrison CA. High pressure studies of metal organic framework materials International Journal of Nanotechnology. 9: 18-22. DOI: 10.1504/Ijnt.2012.044827 |
0.355 |
|
| 2011 |
Jean-Ruel H, Cooney RR, Gao M, Lu C, Kochman MA, Morrison CA, Miller RJ. Femtosecond dynamics of the ring closing process of diarylethene: a case study of electrocyclic reactions in photochromic single crystals. The Journal of Physical Chemistry. A. 115: 13158-68. PMID 21939249 DOI: 10.1021/Jp205818H |
0.339 |
|
| 2011 |
Reilly AM, Morrison CA, Rankin DW, McLean KR. Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factors. Acta Crystallographica. Section a, Foundations of Crystallography. 67: 346-56. PMID 21694473 DOI: 10.1107/S010876731101395X |
0.555 |
|
| 2011 |
Reilly AM, Morrison CA, Rankin DW. Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parameters. Acta Crystallographica. Section a, Foundations of Crystallography. 67: 336-45. PMID 21694472 DOI: 10.1107/S0108767311013948 |
0.563 |
|
| 2011 |
Hunter S, Davidson AJ, Morrison CA, Pulham CR, Richardson P, Farrow MJ, Marshall WG, Lennie AR, Gould PJ. Combined experimental and computational hydrostatic compression study of crystalline ammonium perchlorate Journal of Physical Chemistry C. 115: 18782-18788. DOI: 10.1021/Jp2012599 |
0.63 |
|
| 2010 |
Morrison CA, Reilly AM. Investigating anharmonicity using molecular dynamics calculations: the TM hydride series (PH(3))(3)MH(4), (M = Os, Ru and Fe). Dalton Transactions (Cambridge, England : 2003). 39: 5527-34. PMID 20473416 DOI: 10.1039/C001161D |
0.308 |
|
| 2010 |
Reilly AM, Habershon S, Morrison CA, Rankin DW. Simulating thermal motion in crystalline phase-I ammonia. The Journal of Chemical Physics. 132: 134511. PMID 20387945 DOI: 10.1063/1.3387952 |
0.589 |
|
| 2010 |
Reilly AM, Habershon S, Morrison CA, Rankin DW. Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulations. The Journal of Chemical Physics. 132: 094502. PMID 20210400 DOI: 10.1063/1.3335817 |
0.586 |
|
| 2010 |
Moggach SA, Lennie AR, Morrison CA, Richardson P, Stefanowicz FA, Warren JE. Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: The crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa Crystengcomm. 12: 2587-2595. DOI: 10.1039/C001254H |
0.345 |
|
| 2009 |
Bil A, Latajka Z, Morrison CA. C(70) oxides and ozonides and the mechanism of ozonolysis on the fullerene surface. A theoretical study. The Journal of Physical Chemistry. A. 113: 9891-8. PMID 19685915 DOI: 10.1021/Jp9024798 |
0.305 |
|
| 2009 |
Martins DM, Spanswick CK, Middlemiss DS, Abbas N, Pulham CR, Morrison CA. A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations. The Journal of Physical Chemistry. A. 113: 5998-6003. PMID 19402610 DOI: 10.1021/Jp900141Q |
0.622 |
|
| 2009 |
Martins DM, Middlemiss DS, Pulham CR, Wilson CC, Weller MT, Henry PF, Shankland N, Shankland K, Marshall WG, Ibberson RM, Knight K, Moggach S, Brunelli M, Morrison CA. Temperature- and pressure-induced proton transfer in the 1:1 adduct formed between squaric acid and 4,4'-bipyridine. Journal of the American Chemical Society. 131: 3884-93. PMID 19253941 DOI: 10.1021/Ja8082973 |
0.605 |
|
| 2009 |
Dalgleish S, Morrison CA, Middlemiss DS, Mount AR, Collins A, Pilia L, Serpe A, Mercuri ML, Roberts-Bleming SJ, Charlton A, Deplano P, Murphy PJ, Robertson N. Synthesis, structure and spectroscopic properties of a new class of polymerisable nickel dithiolenes Journal of Materials Chemistry. 19: 6194-6200. DOI: 10.1039/B907028A |
0.359 |
|
| 2008 |
Keys A, Brain PT, Morrison CA, Callender RL, Smart BA, Wann DA, Robertson HE, Rankin DW, Barron AR. Molecular structures of M(Bu(t))3 (M = Al, Ga, In) using gas-phase electron diffraction and ab initio calculations: experimental and computational evidence for charge-transfer processes leading to photodissociation. Dalton Transactions (Cambridge, England : 2003). 404-10. PMID 18411850 DOI: 10.1039/B714168H |
0.585 |
|
| 2008 |
Reilly AM, Middlemiss DS, Siddick MM, Wann DA, Ackland GJ, Wilson CC, Rankin DW, Morrison CA. The phonon spectrum of phase-I ammonia: reassignment of lattice mode symmetries from combined molecular and lattice dynamics calculations. The Journal of Physical Chemistry. A. 112: 1322-9. PMID 18205336 DOI: 10.1021/Jp0757053 |
0.566 |
|
| 2008 |
Reilly AM, Wann DA, Morrison CA, Rankin DWH. A molecular dynamics approach to equilibrium structures in crystals Acta Crystallographica Section A. 64: 221-221. DOI: 10.1107/S0108767308092908 |
0.312 |
|
| 2008 |
Middlemiss DS, Lawton LM, Morrison CA, Wilson CC. Hybrid functional study of the magnetism and electronic structure of a novel coordination polymer: [Cu(HF2)(pyz)2]BF4 Chemical Physics Letters. 459: 119-123. DOI: 10.1016/J.Cplett.2008.05.040 |
0.309 |
|
| 2007 |
Durlak P, Morrison CA, Middlemiss DS, Latajka Z. Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. The Journal of Chemical Physics. 127: 064304. PMID 17705593 DOI: 10.1063/1.2749251 |
0.325 |
|
| 2007 |
Walker M, Morrison CA, Allan DR, Pulham CR, Marshall WG. A new high pressure phase of sodium formate dihydrate; an experimental and computational study. Dalton Transactions (Cambridge, England : 2003). 2014-9. PMID 17502934 DOI: 10.1039/B613444K |
0.632 |
|
| 2007 |
Middlemiss DS, Facchini M, Morrison CA, Wilson CC. Small energy differences in molecular crystals: A first principles study of tautomerism and dynamics in benzoic acid derivatives Crystengcomm. 9: 777-785. DOI: 10.1039/B703181E |
0.357 |
|
| 2007 |
Reilly AM, Wann DA, Morrison CA, Rankin DWH. Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions Chemical Physics Letters. 448: 61-64. DOI: 10.1016/J.Cplett.2007.09.073 |
0.363 |
|
| 2006 |
Siddick MM, Ackland GJ, Morrison CA. Constrained dynamics and extraction of normal modes from ab initio molecular dynamics: application to ammonia. The Journal of Chemical Physics. 125: 64707. PMID 16942305 DOI: 10.1063/1.2218848 |
0.314 |
|
| 2006 |
Walker M, Pulham CR, Morrison CA, Allan DR, Marshall WG. Nitric acid dihydrate at ambient and high pressure : An experimental and computational study Physical Review B. 73: 224110. DOI: 10.1103/Physrevb.73.224110 |
0.586 |
|
| 2005 |
Morrison CA, Siddick MM, Camp PJ, Wilson CC. Toward understanding mobile proton behavior from first principles calculation: the short hydrogen bond in crystalline urea-phosphoric acid. Journal of the American Chemical Society. 127: 4042-8. PMID 15771541 DOI: 10.1021/Ja043327Z |
0.334 |
|
| 2005 |
Moggach SA, Allan DR, Morrison CA, Parsons S, Sawyer L. Effect of pressure on the crystal structure of L-serine-I and the crystal structure of L-serine-II at 5.4 GPa. Acta Crystallographica. Section B, Structural Science. 61: 58-68. PMID 15659858 DOI: 10.1107/S0108768104031787 |
0.366 |
|
| 2005 |
Martins D, Morrison CA, Pulham CR, Wilson CC. Combined experimental and theoretical studies of solid state proton migration Acta Crystallographica Section A. 61: 165-165. DOI: 10.1107/S0108767305093001 |
0.547 |
|
| 2005 |
Moggach SA, Parsons S, Allan D, Morrison C, Sawyer L. The Effect of Pressure, and Formation of new Polymorphs of the Amino Acids L-cysteine and L-serine Acta Crystallographica Section A. 61: 463-463. DOI: 10.1107/S0108767305080724 |
0.384 |
|
| 2004 |
Hinchley SL, Robertson HE, McLachlan LJ, Morrison CA, Rankin DWH, Simpson SJ, Thomas EW. Conformational analysis with both experimental and computational data for both gaseous and crystalline phases: unexpected interactions in N-methyldichloroacetamide Journal of Physical Chemistry A. 108: 185-193. DOI: 10.1021/Jp036478H |
0.389 |
|
| 2003 |
McLachlan LJ, Hinchley SL, Rankin DW, Morrison CA, Robertson HE, Mitzel NW, Rüdinger C, Schmidbaur H. Highly asymmetric coordination in alkenes: gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene. Inorganic Chemistry. 42: 6539-44. PMID 14514331 DOI: 10.1021/Ic034596D |
0.638 |
|
| 2003 |
Morrison CA, Siddick MM. Determining the strengths of hydrogen bonds in solid-state ammonia and urea: insight from periodic DFT calculations. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 628-34. PMID 12569454 DOI: 10.1002/Chem.200390067 |
0.322 |
|
| 2003 |
Boese R, Downs AJ, Greene TM, Hall AW, Morrison CA, Parsons S. Polymorphism in the crystal structures of the group 13 trimethyls Organometallics. 22: 2450-2457. DOI: 10.1021/Om0300272 |
0.341 |
|
| 2003 |
Wilson CC, Thomas LH, Morrison CA. A symmetric hydrogen bond revisited: potassium hydrogen maleate by variable temperature, variable pressure neutron diffraction and plane-wave DFT methods Chemical Physics Letters. 381: 102-108. DOI: 10.1016/J.Cplett.2003.09.055 |
0.324 |
|
| 2002 |
Morrison CA, Wright DS, Layfield RA. Interpreting molecular crystal disorder in plumbocene, Pb(C5H5)2: insight from theory. Journal of the American Chemical Society. 124: 6775-80. PMID 12047199 DOI: 10.1021/Ja025709F |
0.318 |
|
| 2002 |
Wilson CC, Morrison CA. Structural and theoretical investigations of short hydrogen bonds: neutron diffraction and plane-wave DFT calculations of urea–phosphoric acid Chemical Physics Letters. 362: 85-89. DOI: 10.1016/S0009-2614(02)00952-1 |
0.317 |
|
| 2001 |
Hinchley SL, Morrison CA, Rankin DW, Macdonald CL, Wiacek RJ, Voigt A, Cowley AH, Lappert MF, Gundersen G, Clyburne JA, Power PP. Spontaneous generation of stable pnictinyl radicals from "jack-in-the-box" dipnictines: a solid-state, gas-phase, and theoretical investigation of the origins of steric stabilization. Journal of the American Chemical Society. 123: 9045-53. PMID 11552812 DOI: 10.1021/Ja010615B |
0.604 |
|
| 2001 |
Downs AJ, Greene TM, Johnsen E, Brain PT, Morrison CA, Parsons S, Pulham CR, Rankin DW, Aarset K, Mills IM, Page EM, Rice DA. Preparation and properties of gallaborane, GaBH(6): structure of the gaseous molecule H(2)Ga(mu-H)(2)BH(2) as determined by vibrational, electron diffraction, and ab initio studies, and structure of the crystalline solid at 110 K as determined by X-ray diffraction. Inorganic Chemistry. 40: 3484-97. PMID 11421696 DOI: 10.1021/Ic001338X |
0.676 |
|
| 2001 |
Hinchley SL, Smart BA, Morrison C, Robertson HE, Rankin DWH, Coxall RA, Parsons S, Zink R, Siegl H, Hassler K, Mawhorter R. Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations Journal of the Chemical Society-Dalton Transactions. 2916-2925. DOI: 10.1039/B103315H |
0.396 |
|
| 2001 |
Morrison CA, Bone SF, Rankin DWH, Robertson HE, Parsons S, Coxall RA, Fraser S, Howell JAS, Yates PC, Fey N. Conformational properties of substituted ferrocenes: Experimental and theoretical studies of the molecular structures of 1,1′-di-tert-butylferrocene and isopropylferrocene Organometallics. 20: 2309-2320. DOI: 10.1021/Om001012W |
0.397 |
|
| 2000 |
Hinchley SL, Morrison CA, Rankin DWH, Macdonald CLB, Wiacek RJ, Cowley AH, Lappert MF, Gundersen G, Clyburne JAC, Power PP. Persistent phosphinyl radicals from a bulky diphosphine: An example of a molecular jack-in-the-box Chemical Communications. 2045-2046. DOI: 10.1039/B004889P |
0.373 |
|
| 2000 |
Morrison CA, Rankin DWH, Robertson HE, Eaborn C, Farook A, Hitchcock PB, David Smith J. Conformational control by halogen substitution and by crystallisation: A study of the molecular structures of CH(SiMe2H)3 and CH(SiMe2Br)3 by gas-phase electron diffraction, and ab initia molecular orbital calculations Journal of the Chemical Society, Dalton Transactions. 4312-4322. DOI: 10.1039/B004733N |
0.337 |
|
| 2000 |
Ibberson RM, Morrison C, Prager M. Neutron powder and ab initio structure of ortho-xylene: the influence of crystal packing on phenyl ring geometry at 2 K Chemical Communications. 539-540. DOI: 10.1039/A908599H |
0.359 |
|
| 2000 |
Downs AJ, Greene TM, Collin aSE, Whitehurst LA, Brain PT, Morrison CA, Pulham CR, Smart aBA, Rankin DWH, and AK, Barron AR. Dimethylalane, [Me2AlH]n, in the Vapor Phase and in Hydrocarbon Solution: Gas-Phase Electron Diffraction, Spectroscopic, Colligative, and ab Initio Studies Organometallics. 19: 527-538. DOI: 10.1021/Om990811F |
0.609 |
|
| 2000 |
Borisenko KB, Gould RO, Morrison CA, Parsons S, Rankin DWH. A theoretical and experimental study of weak silane-electron donor interactions Journal of Molecular Structure. 554: 163-172. DOI: 10.1016/S0022-2860(00)00669-4 |
0.351 |
|
| 1999 |
Navarro A, Fernández-Gómez M, Fernández-Liencres MP, Morrison CA, Rankin DWH, Robertson HE. Tetrachloropyrimidine: molecular structure by electron diffraction, vibrational analysis by infrared, Raman and inelastic neutron scattering spectroscopies, and quantum mechanical calculations Physical Chemistry Chemical Physics. 1: 3453-3460. DOI: 10.1039/A903188J |
0.367 |
|
| 1999 |
Morrison CA, Rankin DWH, Robertson HE, Lickiss PD, Masangane PC. The synthesis of C[Si(CH3)2X]3SiX3 compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH3)2H]3SiH3 in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations† Journal of the Chemical Society-Dalton Transactions. 2293-2302. DOI: 10.1039/A902915J |
0.337 |
|
| 1999 |
Hinchley SL, Smart BA, Morrison CA, Robertson HE, Rankin DWH, Zink R, Hassler K. 1,1,2-Tri-tert-butyldisilane, But2HSiSiH2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations Journal of the Chemical Society-Dalton Transactions. 2303-2310. DOI: 10.1039/A902342I |
0.386 |
|
| 1999 |
Smart BA, Morrison CA, Papathomas PM, Brookman CA, Robertson HE, Rankin DWH. The molecular structures of 2-, 3- and 4-chloropyridine and chloropyrazine in the gas phase by electron diffraction and ab initio calculations † Journal of the Chemical Society-Perkin Transactions 1. 745-754. DOI: 10.1039/A809882D |
0.381 |
|
| 1999 |
Bone SF, Smart BA, Gierens H, Morrison CA, Brain PT, Rankin DWH. The molecular structure of thiazole, determined by the combined analysis of gas-phase electron diffraction (GED) data and rotational constants and by ab initio calculations Physical Chemistry Chemical Physics. 1: 2421-2426. DOI: 10.1039/A809867K |
0.318 |
|
| 1998 |
Morrison CA, Smart BA, Brain PT, Rankin DWH, Downs AJ. Molecular structures of tetraborane(10) derivatives: ab initio calculations for (CH3)2MB3H8 (M = B, Al, Ga or In) and gas-phase electron diffraction studies of (CH3)2AlB3H8 and (CH3)2GaB3H8 Journal of the Chemical Society-Dalton Transactions. 2155-2162. DOI: 10.1039/A801554F |
0.327 |
|
| 1998 |
Morrison CA, Smart BA, Brain PT, Pulham CR, Rankin DWH, Downs AJ. Molecular structures of tetraborane(10) derivatives: ab initio calculations for H2MB3H8 (M = B, Al, Ga or In) and gas-phase electron diffraction study of H2GaB3H8 Journal of the Chemical Society-Dalton Transactions. 2147-2154. DOI: 10.1039/A801553H |
0.575 |
|
| 1997 |
Morrison CA, Smart BA, Parsons S, Brown EM, Rankin DWH, Robertson HE, Miller J. Gaseous and crystalline phase molecular structures of 4,6-dichloropyrimidine, 2,6-dichloropyrazine and 3,6-dichloropyridazine Journal of the Chemical Society-Perkin Transactions 1. 857-868. DOI: 10.1039/A700069C |
0.391 |
|
| 1997 |
Morrison CA, Smart BA, Rankin DWH, Robertson HE, Pfeffer M, Bodenmüller W, Ruber R, Macht B, Ruoff A, Typke V. Molecular Structure of 1,3,5-Triazine in Gas, Solution, and Crystal Phases and by ab Initio Calculations† Journal of Physical Chemistry A. 101: 10029-10038. DOI: 10.1021/Jp971637G |
0.383 |
|
| 1996 |
Brain PT, Morrison CA, Parsons S, Rankin DWH. Tetraborane(10), B4H10: structures in gaseous and crystalline phases Journal of the Chemical Society-Dalton Transactions. 4589-4596. DOI: 10.1039/Dt9960004589 |
0.344 |
|
| 1996 |
Blake AJ, Brain PT, McNab H, Miller J, Morrison CA, Parsons S, Rankin DWH, Robertson aHE, Smart BA. Structure Analysis Restrained By Ab Initio Calculations : The Molecular Structure Of 2,5-Dichloropyrimidine In Gaseous And Crystalline Phases The Journal of Physical Chemistry. 100: 12280-12287. DOI: 10.1021/Jp960084R |
0.335 |
|
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