Natalie Fey - Publications

Affiliations: 
University of Bristol, Bristol, England, United Kingdom 
Area:
computational inorganic chemistry, homogeneous catalysis, organometallics

61 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Aggarwal VK, Fasano V, McFord AW, Butts CP, Collins BSL, Fey N, Alder RW. How big is the pinacol boronic ester as a substituent? Angewandte Chemie (International Ed. in English). PMID 32866342 DOI: 10.1002/Anie.202007776  0.35
2020 Fey N, Koumi A, Malkov AV, Moseley JD, Nguyen BN, Tyler SNG, Willans CE. Mapping the properties of bidentate ligands with calculated descriptors (LKB-bid). Dalton Transactions (Cambridge, England : 2003). PMID 32510533 DOI: 10.1039/D0Dt01694B  0.524
2019 Bauer M, Cadge J, Davies D, Durand DJ, Eisenstein O, Ess D, Fey N, Gallarati S, George M, Hamilton A, Harvey J, Hintermair U, Hulme AN, Ishii Y, Jensen VR, et al. Computational and theoretical approaches for mechanistic understanding: general discussion. Faraday Discussions. PMID 31764927 DOI: 10.1039/C9Fd90073J  0.738
2019 Aoki Y, Bauer M, Braun T, Cadge J, Davies D, Durand DJ, Eisenstein O, Ess D, Fairlamb I, Fey N, Gallarati S, George M, Greaves M, Halse M, Hamilton A, et al. Physical methods for mechanistic understanding: general discussion. Faraday Discussions. PMID 31755887 DOI: 10.1039/C9Fd90070E  0.74
2019 Aoki Y, Braun T, Davies D, Eisenstein O, Fairlamb I, Fey N, George M, Goult C, Hamilton A, Huang Z, Ishii Y, Jakoobi M, Kuwata S, Lloyd-Jones G, Love J, et al. Understanding unusual element-element bond formation and activation: general discussion. Faraday Discussions. PMID 31755882 DOI: 10.1039/C9Fd90071C  0.714
2019 Benton A, Durand DJ, Copeland Z, Watson JD, Fey N, Mansell SM, Rosair GM, Welch AJ. On the Basicity of Carboranylphosphines. Inorganic Chemistry. PMID 31638782 DOI: 10.1021/Acs.Inorgchem.9B02486  0.329
2019 Lai A, Clifton J, Diaconescu PL, Fey N. Computational mapping of redox-switchable metal complexes based on ferrocene derivatives. Chemical Communications (Cambridge, England). PMID 31143911 DOI: 10.1039/C9Cc01977D  0.387
2019 Durand DJ, Fey N. Computational Ligand Descriptors for Catalyst Design. Chemical Reviews. PMID 30802036 DOI: 10.1021/Acs.Chemrev.8B00588  0.504
2018 Newland RJ, Smith A, Smith DM, Fey N, Hanton MJ, Mansell SM. Accessing Alkyl- and Alkenylcyclopentanes from Cr-Catalyzed Ethylene Oligomerization Using 2-Phosphinophosphinine Ligands Organometallics. 37: 1062-1073. DOI: 10.1021/Acs.Organomet.8B00063  0.523
2017 Costil R, Dale H, Fey N, Whitcombe G, Matlock J, Clayden J. Heavily Substituted Atropisomeric Diarylamines by Unactivated Smiles Rearrangement of N-Aryl Anthranilamides. Angewandte Chemie (International Ed. in English). PMID 28817222 DOI: 10.1002/Anie.201706341  0.381
2016 Furneaux AG, Piro NA, Hernández Sánchez R, Gramigna KM, Fey N, Robinson MJ, Kassel WS, Nataro C. Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1). Dalton Transactions (Cambridge, England : 2003). PMID 26867513 DOI: 10.1039/C5Dt04721H  0.408
2015 Ciano L, Fey N, Halliday CJ, Lynam JM, Milner LM, Mistry N, Pridmore NE, Townsend NS, Whitwood AC. Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(i) catalysis. Chemical Communications (Cambridge, England). 51: 9702-5. PMID 25978687 DOI: 10.1039/C5Cc02629F  0.373
2015 Forrest SJ, Clifton J, Fey N, Pringle PG, Sparkes HA, Wass DF. Cooperative Lewis pairs based on late transition metals: activation of small molecules by platinum(0) and B(C6 F5 )3. Angewandte Chemie (International Ed. in English). 54: 2223-7. PMID 25538001 DOI: 10.1002/Anie.201409872  0.352
2015 Fey N, Papadouli S, Pringle PG, Ficks A, Fleming JT, Higham LJ, Wallis JF, Carmichael D, Mézailles N, Müller C. Setting P-Donor Ligands into Context: An Application of the Ligand Knowledge Base (LKB) Approach Phosphorus, Sulfur and Silicon and the Related Elements. 190: 706-714. DOI: 10.1080/10426507.2014.983599  0.473
2014 McMullin CL, Fey N, Harvey JN. Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts. Dalton Transactions (Cambridge, England : 2003). 43: 13545-56. PMID 25091386 DOI: 10.1039/C4Dt01758G  0.833
2014 Jover J, Fey N. The computational road to better catalysts. Chemistry, An Asian Journal. 9: 1714-23. PMID 24668590 DOI: 10.1002/Asia.201301696  0.763
2014 Pickup OJS, Khazal I, Smith EJ, Whitwood AC, Lynam JM, Bolaky K, King TC, Rawe BW, Fey N. Computational discovery of stable transition-metal vinylidene complexes Organometallics. 33: 1751-1761. DOI: 10.1021/Om500114U  0.43
2014 Jover J, Fey N. The computational road to better catalysts Chemistry - An Asian Journal. 9: 1714-1723. DOI: 10.1002/asia.201301696  0.741
2013 Jover J, Fey N. Screening substituent and backbone effects on the properties of bidentate P,P-donor ligands (LKB-PPscreen) Dalton Transactions. 42: 172-181. PMID 23104510 DOI: 10.1039/C2Dt32099A  0.824
2012 Jover J, Fey N, Harvey JN, Lloyd-Jones GC, Orpen AG, Owen-Smith GJ, Murray P, Hose DR, Osborne R, Purdie M. Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP). Organometallics. 31: 5302-5306. PMID 24882917 DOI: 10.1021/Om300312T  0.798
2012 Fey N, Garland M, Hopewell JP, McMullin CL, Mastroianni S, Orpen AG, Pringle PG. Stable fluorophosphines: predicted and realized ligands for catalysis. Angewandte Chemie (International Ed. in English). 51: 118-22. PMID 22076744 DOI: 10.1002/Anie.201105954  0.807
2012 Fey N, Haddow MF, Mistry R, Norman NC, Orpen AG, Reynolds TJ, Pringle PG. Regioselective B-cyclometalation of a bulky o-carboranyl phosphine and the unexpected formation of a dirhodium(II) complex Organometallics. 31: 2907-2913. DOI: 10.1021/Om201198S  0.685
2012 Berstler J, Lopez A, Ménard D, Dougherty WG, Kassel WS, Hansen A, Daryaei A, Ashitey P, Shaw MJ, Fey N, Nataro C. Synthesis and spectroelectrochemistry of transition metal carbonyls with 1,1′-bis(phosphino)metallocene ligands Journal of Organometallic Chemistry. 712: 37-45. DOI: 10.1016/J.Jorganchem.2012.04.007  0.316
2011 Shao Z, Rannou P, Sadki S, Fey N, Lindsay DM, Faul CF. Delineating poly(aniline) redox chemistry by using tailored oligo(aryleneamine)s: towards oligo(aniline)-based organic semiconductors with tunable optoelectronic properties. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 12512-21. PMID 21922577 DOI: 10.1002/Chem.201101697  0.33
2011 Fey N, Ridgway BM, Jover J, McMullin CL, Harvey JN. Organometallic reactivity: the role of metal-ligand bond energies from a computational perspective. Dalton Transactions (Cambridge, England : 2003). 40: 11184-91. PMID 21853190 DOI: 10.1039/C1Dt10909J  0.786
2010 Lodola A, Sirirak J, Fey N, Rivara S, Mor M, Mulholland AJ. Structural Fluctuations in Enzyme-Catalyzed Reactions: Determinants of Reactivity in Fatty Acid Amide Hydrolase from Multivariate Statistical Analysis of Quantum Mechanics/Molecular Mechanics Paths. Journal of Chemical Theory and Computation. 6: 2948-60. PMID 26616091 DOI: 10.1021/Ct100264J  0.312
2010 McMullin CL, Jover J, Harvey JN, Fey N. Accurate modelling of Pd(0) + PhX oxidative addition kinetics. Dalton Transactions (Cambridge, England : 2003). 39: 10833-6. PMID 20963224 DOI: 10.1039/C0Dt00778A  0.748
2010 Fey N. The contribution of computational studies to organometallic catalysis: descriptors, mechanisms and models. Dalton Transactions (Cambridge, England : 2003). 296-310. PMID 20023961 DOI: 10.1039/B913356A  0.456
2010 Jover J, Fey N, Harvey JN, Lloyd-Jones GC, Orpen AG, Owen-Smith GJJ, Murray P, Hose DRJ, Osborne R, Purdie M. Expansion of the ligand knowledge base for monodentate P-donor ligands (LKB-P) Organometallics. 29: 6245-6258. DOI: 10.1021/Om100648V  0.805
2010 Fanjul T, Eastham G, Fey N, Hamilton A, Orpen AG, Pringle PG, Waugh M. Palladium complexes of the heterodiphosphine o- C6H 4(CH2PtBu2)(CH2PPh 2) are highly selective and robust catalysts for the hydromethoxycarbonylation of ethene Organometallics. 29: 2292-2305. DOI: 10.1021/Om100049N  0.583
2010 McMullin CL, Rühle B, Besora M, Orpen AG, Harvey JN, Fey N. Computational study of PtBu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine Journal of Molecular Catalysis a: Chemical. 324: 48-55. DOI: 10.1016/J.Molcata.2010.02.030  0.819
2010 Jover J, Fey N, Purdie M, Lloyd-Jones GC, Harvey JN. A computational study of phosphine ligand effects in Suzuki-Miyaura coupling Journal of Molecular Catalysis a: Chemical. 324: 39-47. DOI: 10.1016/J.Molcata.2010.02.021  0.806
2009 Fey N, Haddow MF, Harvey JN, McMullin CL, Orpen AG. A ligand knowledge base for carbenes (LKB-C): maps of ligand space. Dalton Transactions (Cambridge, England : 2003). 8183-96. PMID 19789771 DOI: 10.1039/B909229C  0.815
2009 Evans LA, Fey N, Lloyd-Jones GC, Muñoz MP, Slatford PA. Cryptocatalytic 1,2-alkene migration in a σ-alkyl palladium diene complex Angewandte Chemie - International Edition. 48: 6262-6265. PMID 19618412 DOI: 10.1002/Anie.200901468  0.668
2009 Carreira M, Charernsuk M, Eberhard M, Fey N, van Ginkel R, Hamilton A, Mul WP, Orpen AG, Phetmung H, Pringle PG. Anatomy of phobanes. diastereoselective synthesis of the three isomers of n-butylphobane and a comparison of their donor properties. Journal of the American Chemical Society. 131: 3078-92. PMID 19183007 DOI: 10.1021/Ja808807S  0.573
2009 McMullin CL, Fey N, Orpen AG. Conformational analysis of bidentate tetra-aryl diphosphines Acta Crystallographica Section a Foundations of Crystallography. 65: s307-s308. DOI: 10.1107/S0108767309093453  0.771
2009 Lloyd-Jones G, Evans L, Fey N, Harvey J, Hose D, Murray P, Orpen A, Osborne R, Owen-Smith G, Purdie M. Kinetic Studies of Palladium-Catalyzed Tsuji-Trost Allylations Synfacts. 2009: 0292-0292. DOI: 10.1055/S-0028-1087759  0.776
2009 Carreira M, Charernsuk M, Eberhard M, Fey N, Van Ginkel R, Hamilton A, Mul WP, Orpen AG, Phetmung H, Pringle PG. Anatomy of phobanes. Diastereoselective synthesis of the three isomers of n-butylphobane and a comparison of their donor properties Journal of the American Chemical Society. 131: 3078-3092. DOI: 10.1021/ja808807s  0.509
2009 Fey N, Orpen AG, Harvey JN. Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal-phosphorus bond Coordination Chemistry Reviews. 253: 704-722. DOI: 10.1016/J.Ccr.2008.04.017  0.803
2008 Evans LA, Fey N, Harvey JN, Hose D, Lloyd-Jones GC, Murray P, Orpen AG, Osborne R, Owen-Smith GJJ, Purdie M. Counterintuitive kinetics in Tsuji-Trost allylation: Ion-pair partitioning and implications for asymmetric catalysis Journal of the American Chemical Society. 130: 14471-14473. PMID 18839958 DOI: 10.1021/Ja806278E  0.792
2008 Adams CJ, Fey N, Harrison ZA, Sazanovich IV, Towrie M, Weinstein JA. Photophysical properties of platinum(II)-acetylide complexes: the effect of a strongly electron-accepting diimine ligand on excited-state structure. Inorganic Chemistry. 47: 8242-57. PMID 18693685 DOI: 10.1021/Ic800850H  0.395
2008 Fey N, Harvey JN, Lloyd-Jones GC, Murray P, Orpen AG, Osborne R, Purdie M. Computational descriptors for chelating P,P- And P,N-donor ligands Organometallics. 27: 1372-1383. DOI: 10.1021/Om700840H  0.833
2007 Adams CJ, Fey N, Parfitt M, Pope SJ, Weinstein JA. Synthesis, structures and properties of a new series of platinum-diimine-dithiolate complexes. Dalton Transactions (Cambridge, England : 2003). 4446-56. PMID 17909656 DOI: 10.1039/B709252K  0.348
2006 Mansson RA, Welsh AH, Fey N, Orpen AG. Statistical modeling of a ligand knowledge base Journal of Chemical Information and Modeling. 46: 2591-2600. PMID 17125199 DOI: 10.1021/Ci600212T  0.619
2006 Fey N, Howell JA, Lovatt JD, Yates PC, Cunningham D, McArdle P, Gottlieb HE, Coles SJ. A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines. Dalton Transactions (Cambridge, England : 2003). 5464-75. PMID 17117216 DOI: 10.1039/B610123B  0.698
2006 Adams CJ, Fey N, Weinstein JA. Near-infrared luminescence from platinum(II) diimine compounds. Inorganic Chemistry. 45: 6105-7. PMID 16878911 DOI: 10.1021/Ic060399D  0.371
2006 Fey N, Harris SE, Harvey JN, Orpen AG. Adding value to crystallographically-derived knowledge bases Journal of Chemical Information and Modeling. 46: 912-929. PMID 16563023 DOI: 10.1021/Ci0504768  0.761
2006 Fey N, Howell JAS, Lovatt JD, Yates PC, Cunningham D, McArdle P, Gottlieb HE, Coles SJ. A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines Dalton Transactions. 5464-5475. DOI: 10.1039/b610123b  0.54
2005 Fey N, Tsipis AC, Harris SE, Harvey JN, Orpen AG, Mansson RA. Development of a ligand knowledge base, part 1: computational descriptors for phosphorus donor ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 291-302. PMID 16278917 DOI: 10.1002/Chem.200500891  0.797
2005 Deeth RJ, Fey N, Williams-Hubbard B. DommiMOE: an implementation of ligand field molecular mechanics in the molecular operating environment. Journal of Computational Chemistry. 26: 123-30. PMID 15584081 DOI: 10.1002/Jcc.20137  0.608
2005 Deeth RJ, Fey N, Williams-Hubbard B. DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment Journal of Computational Chemistry. 26: 123-130. DOI: 10.1002/jcc.20137  0.535
2005 Fey N, Tsipis AC, Harris SE, Harvey JN, Orpen AG, Mansson RA. Development of a ligand knowledge base, Part 1: Computational descriptors for phosphorus donor ligands Chemistry - a European Journal. 12: 291-302. DOI: 10.1002/chem.200500891  0.773
2004 Deeth RJ, Fey N. The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes. Journal of Computational Chemistry. 25: 1840-8. PMID 15389750 DOI: 10.1002/Jcc.20101  0.525
2004 Deeth RJ, Fey N. A molecular mechanics study of copper(II)-catalyzed asymmetric Diels-Alder reactions Organometallics. 23: 1042-1054. DOI: 10.1021/Om0343519  0.569
2004 Deeth RJ, Fey N. The performance of nonhybrid density functionals for calculating the structures and spin States of Fe(II) and Fe(III) complexes Journal of Computational Chemistry. 25: 1840-1848. DOI: 10.1002/jcc.20101  0.457
2004 Piquemal JP, Williams-Hubbard B, Fey N, Deeth RJ, Gresh N, Giessner-Prettre C. Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF (vol 24, pg 1963, 2003) Journal of Computational Chemistry. 25: 308-308. DOI: 10.1002/Jcc.10415  0.614
2003 Piquemal JP, Williams-Hubbard B, Fey N, Deeth RJ, Gresh N, Giessner-Prettre C. Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. Journal of Computational Chemistry. 24: 1963-70. PMID 14531050 DOI: 10.1002/Jcc.10354  0.621
2002 Howell JAS, Yates PC, Fey N, McArdle P, Cunningham D, Parsons S, Rankin DWH. Molecular mechanics analysis of structure and diastereoselectivity toward lithiation in amido- and α-aminoferrocene complexes Organometallics. 21: 5272-5286. DOI: 10.1021/Om020556Q  0.631
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  0.592
1999 Howell JAS, Fey N, Lovatt JD, Yates PC, McArdle P, Cunningham D, Sadeh E, Gottlieb HE, Goldschmidt Z, Hursthouse MB, Light ME. Effect of fluorine and trifluoromethyl substitution on the donor properties and stereodynamical behaviour of triarylphosphines Journal of the Chemical Society - Dalton Transactions. 3015-3028. DOI: 10.1039/A903211H  0.603
1999 Fey N. Organometallic molecular modelling - The computational chemistry of metallocenes: A review Journal of Chemical Technology and Biotechnology. 74: 852-862. DOI: 10.1002/(Sici)1097-4660(199909)74:9<852::Aid-Jctb131>3.0.Co;2-T  0.322
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