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John M. Dyke, Ph.D - Related publications

Affiliations: 
Chemistry University of Southampton, Southampton, England, United Kingdom 
Area:
Physical chemistry
Website:
http://www.southampton.ac.uk/chemistry/about/staff/jmdyke.page
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
Year Citation  Score
2021 Bouwman J, Hrodmarsson HR, Ellison GB, Bodi A, Hemberger P. Five Birds with One Stone: Photoelectron Photoion Coincidence Unveils Rich Phthalide Pyrolysis Chemistry. The Journal of Physical Chemistry. A. PMID 33616395 DOI: 10.1021/acs.jpca.1c00149   
2021 Bernard J, Al-Mogeeth A, Martin S, Montagne G, Joblin C, Dontot L, Spiegelman F, Rapacioli M. Experimental and theoretical study of photo-dissociation spectroscopy of pyrene dimer radical cations stored in a compact electrostatic ion storage ring. Physical Chemistry Chemical Physics : Pccp. PMID 33667290 DOI: 10.1039/d0cp05779g   
2021 Bernard J, Al-Mogeeth A, Martin S, Montagne G, Joblin C, Dontot L, Spiegelman F, Rapacioli M. Experimental and theoretical study of photo-dissociation spectroscopy of pyrene dimer radical cations stored in a compact electrostatic ion storage ring. Physical Chemistry Chemical Physics : Pccp. PMID 33667290 DOI: 10.1039/d0cp05779g   
2021 Zhou B, Yang D, Xie D. Quantum dynamics of the energy transfer for vibrationally excited HF (v = 7) colliding with D (v = 0): Theory assessing experiment. The Journal of Chemical Physics. 154: 114303. PMID 33752381 DOI: 10.1063/5.0046452   
2021 Cao W, Xantheas SS, Wang XB. Cryogenic Vibrationally Resolved Photoelectron Spectroscopy of OH(HO): Confirmation of Multidimensional Franck-Condon Simulation Results for the Transition State of the OH + HO Reaction. The Journal of Physical Chemistry. A. PMID 33661632 DOI: 10.1021/acs.jpca.1c00848   
2021 Cao J, Wu Y, Ma H, Shen Z, Bian W. Dynamics and kinetics of the Si(D) + H/D reactions on a new global potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 33684184 DOI: 10.1039/d0cp05540a   
2021 Duran AT, Powis I, Holland DMP, Nicolas C, Bozek J, Trofimov AB, Grigoricheva EK, Skitnevskaya AD. Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19-90 eV photon energy. The Journal of Chemical Physics. 154: 094303. PMID 33685139 DOI: 10.1063/5.0040049   
2021 Wiersma SD, Candian A, Bakker JM, Berden G, Eyler JR, Oomens J, Tielens AGGM, Petrignani A. IR photofragmentation of the phenyl cation: spectroscopy and fragmentation pathways. Physical Chemistry Chemical Physics : Pccp. PMID 33587740 DOI: 10.1039/d0cp05554a   
2021 Matthaei CT, Mukhopadhyay DP, Fischer I. Photodissociation of Benzoyl Chloride: A Velocity Map Imaging Study Using VUV Detection of Chlorine Atoms. The Journal of Physical Chemistry. A. PMID 33819043 DOI: 10.1021/acs.jpca.0c11236   
2021 Bowen KP, Hillenbrand PM, Liévin J, Savin DW, Urbain X. Dynamics of the isotope exchange reaction of D with H, HD, and DH. The Journal of Chemical Physics. 154: 084307. PMID 33639774 DOI: 10.1063/5.0038434   
2021 Qu Q, Cooper B, Yurchenko SN, Tennyson J. A spectroscopic model for the low-lying electronic states of NO. The Journal of Chemical Physics. 154: 074112. PMID 33607908 DOI: 10.1063/5.0038527   
2021 Li J, Xu L, Garcia-Fernandez M, Nag A, Robarts HC, Walters AC, Liu X, Zhou J, Wohlfeld K, van den Brink J, Ding H, Zhou KJ. Unraveling the Orbital Physics in a Canonical Orbital System KCuF_{3}. Physical Review Letters. 126: 106401. PMID 33784112 DOI: 10.1103/PhysRevLett.126.106401   
2021 Zhang C, Sibert EL, Gruebele M. A phase diagram for energy flow-limited reactivity. The Journal of Chemical Physics. 154: 104301. PMID 33722023 DOI: 10.1063/5.0043665   
2021 Mant B, Yurtsever E, González-Sánchez L, Wester R, Gianturco FA. Vibrational quenching of CN in collisions with He and Ar. The Journal of Chemical Physics. 154: 084305. PMID 33639742 DOI: 10.1063/5.0039854   
2021 Ulenikov ON, Bekhtereva ES, Gromova OV, Quack M, Berezkin KB, Sydow C, Bauerecker S. High resolution ro-vibrational analysis of molecules in doublet electronic states: the fundamental of chlorine dioxide (OClO) in the electronic ground state. Physical Chemistry Chemical Physics : Pccp. PMID 33620042 DOI: 10.1039/d0cp05515h   
2021 Ashworth EK, Anstöter CS, Verlet JRR, Bull JN. Autodetachment dynamics of 2-naphthoxide and implications for astrophysical anion abundance. Physical Chemistry Chemical Physics : Pccp. 23: 5817-5823. PMID 33686387 DOI: 10.1039/d1cp00261a   
2021 Malerz S, Trinter F, Hergenhahn U, Ghrist A, Ali H, Nicolas C, Saak CM, Richter C, Hartweg S, Nahon L, Lee C, Goy C, Neumark DM, Meijer G, Wilkinson I, et al. Low-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions. Physical Chemistry Chemical Physics : Pccp. PMID 33710216 DOI: 10.1039/d1cp00430a   
2021 Wu W, De Hont JT, Parveen R, Vlaisavljevich B, Tolman WB. Sulfur-Containing Analogues of the Reactive [CuOH] Core. Inorganic Chemistry. PMID 33733755 DOI: 10.1021/acs.inorgchem.1c00216   
2021 Walter CW, Spielman SE, Ponce R, Gibson ND, Yukich JN, Cheung C, Safronova MS. Observation of an Electric Quadrupole Transition in a Negative Ion: Experiment and Theory. Physical Review Letters. 126: 083001. PMID 33709752 DOI: 10.1103/PhysRevLett.126.083001   
2021 Friman-Gayer U, Romig C, Hüther T, Albe K, Bacca S, Beck T, Berger M, Birkhan J, Hebeler K, Hernandez OJ, Isaak J, König S, Pietralla N, Ries PC, Rohrer J, et al. Role of Chiral Two-Body Currents in ^{6}Li Magnetic Properties in Light of a New Precision Measurement with the Relative Self-Absorption Technique. Physical Review Letters. 126: 102501. PMID 33784121 DOI: 10.1103/PhysRevLett.126.102501   
2021 Sasitha T, John WJ. Design, docking, and DFT investigations of 2,6-bis(3,4-dihydroxyphenyl)-3-phenethylpiperidin-4-one. Heliyon. 7: e06127. PMID 33659730 DOI: 10.1016/j.heliyon.2021.e06127   
2021 Baddipalli HR, Ali A, Singh RS. Electronic structure of ternary palladates and effect of hole doping: A valence band photoemission spectroscopic study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33752182 DOI: 10.1088/1361-648X/abf0c7   
2021 Hsu TY, Jeanmairet G. Assessing the correctness of pressure correction to solvation theories in the study of electron transfer reactions. The Journal of Chemical Physics. 154: 131102. PMID 33832266 DOI: 10.1063/5.0048343   
2021 Fetherolf JH, Berkelbach TC. Vibrational heat-bath configuration interaction. The Journal of Chemical Physics. 154: 074104. PMID 33607897 DOI: 10.1063/5.0035454   
2021 Green JA, Jouybari MY, Aranda D, Improta R, Santoro F. Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases. Molecules (Basel, Switzerland). 26. PMID 33804640 DOI: 10.3390/molecules26061743   
2021 Green JA, Jouybari MY, Aranda D, Improta R, Santoro F. Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases. Molecules (Basel, Switzerland). 26. PMID 33804640 DOI: 10.3390/molecules26061743   
2021 Yong H, Moreno Carrascosa A, Ma L, Stankus B, Minitti MP, Kirrander A, Weber PM. Determination of excited state molecular structures from time-resolved gas-phase X-ray scattering. Faraday Discussions. PMID 33595043 DOI: 10.1039/d0fd00118j   
2021 Sun X, Gong H, Zhang Y, Tian Y, Zhang H, Bai F, Wang J, Zhong K, Kong C. Investigating phosphorescence capability of halogen-substituted metal-free organic molecules: A theoretical study. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 255: 119642. PMID 33794424 DOI: 10.1016/j.saa.2021.119642   
2021 Lu Y, Tang R, Fu X, Liu H, Ning C. Dipole-bound and valence excited states of AuF anions via resonant photoelectron spectroscopy. The Journal of Chemical Physics. 154: 074303. PMID 33607888 DOI: 10.1063/5.0038560   
2021 Mazzone G, De Simone BC, Marino T, Russo N. Theoretical investigation on bisarylselanylbenzo-2,1,3-selenadiazoles as potential photosensitizers in photodynamic therapy. The Journal of Chemical Physics. 154: 084113. PMID 33639755 DOI: 10.1063/5.0038326   
2021 Mishra P, Fritz SM, Herbers S, Mebel AM, Zwier TS. Gas-phase pyrolysis of 3-pentenenitrile: competition between direct and isomerization-mediated dissociation. Physical Chemistry Chemical Physics : Pccp. PMID 33729262 DOI: 10.1039/d1cp00104c   
2021 Arutyunov N, Krause-Rehberg R, Elsayed M, Emtsev V, Abrosimov NV, Oganesyan G, Kozlovski VV. Microstructure of bismuth centers in silicon before and after irradiation with 15 MeV protons. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33626521 DOI: 10.1088/1361-648X/abe96f   
2021 Buyuktemiz M, Kılıç M, Che Y, Zhao J, Dede Y. When Does Fusing Two Rings Not Yield a Larger Ring? The Curious Case of BOPHY. The Journal of Organic Chemistry. PMID 33656343 DOI: 10.1021/acs.joc.0c02976   
2021 Kundu S, Makri N. Origin of vibrational features in the excitation energy transfer dynamics of perylene bisimide J-aggregates. The Journal of Chemical Physics. 154: 114301. PMID 33752338 DOI: 10.1063/5.0041514   
2021 Ji F, Guo Y, Wang M, Wu Z, Shi Y, Zhao X, Wang H, Feng X, Zhao G. Excited state electronic structures and photochemistry of different oxidation states of 2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS). Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 253: 119503. PMID 33610101 DOI: 10.1016/j.saa.2021.119503   
2021 Haakansson CT, Corkish TR, Watson PD, Robinson HT, Tsui T, McKinley AJ, Wild DA. Spectroscopic Investigation of Chalcogen Bonding: Halide - Carbon Disulfide Complexes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33704887 DOI: 10.1002/cphc.202100148   
2021 Grinter DC, Allan M, Yang HJ, Salcedo A, Murgida GE, Shaw BJ, Pang CL, Idriss H, Ganduglia-Pirovano MV, Thornton G. Ce=O Terminated CeO2. Angewandte Chemie (International Ed. in English). PMID 33826220 DOI: 10.1002/anie.202101771   
2021 Kang CJ, Kotliar G. Optical Properties of the Infinite-Layer La_{1-x}Sr_{x}NiO_{2} and Hidden Hund's Physics. Physical Review Letters. 126: 127401. PMID 33834805 DOI: 10.1103/PhysRevLett.126.127401   
2021 Bustamante CM, Gadea ED, Horsfield A, Todorov TN, González Lebrero MC, Scherlis DA. Dissipative Equation of Motion for Electromagnetic Radiation in Quantum Dynamics. Physical Review Letters. 126: 087401. PMID 33709735 DOI: 10.1103/PhysRevLett.126.087401   
2021 Ocola EJ, Laane J. Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 2-Cyclopenten-1-ol. Molecules (Basel, Switzerland). 26. PMID 33669788 DOI: 10.3390/molecules26041106   
2021 Gutiérrez-Quintanilla A, Platakyte R, Chevalier M, Crépin C, Ceponkus J. Hidden Isomer of Trifluoroacetylacetone Revealed by Matrix Isolation Infrared and Raman Spectroscopy. The Journal of Physical Chemistry. A. PMID 33705131 DOI: 10.1021/acs.jpca.0c10945   
2021 Geindre H, Allouche AR, Peláez D. Non long-range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons. Journal of Computational Chemistry. PMID 33760242 DOI: 10.1002/jcc.26520   
2021 Valverde D, Mai S, Sanches de Araújo AV, Canuto S, González L, Borin AC. On the population of triplet states of 2-seleno-thymine. Physical Chemistry Chemical Physics : Pccp. PMID 33650609 DOI: 10.1039/d1cp00041a   
2021 Ahn IH, Kim DY, Lee S. Correlation between Optical Localization-State and Electrical Deep-Level State in InAlAs/InGaAs Quantum Well Structure. Nanomaterials (Basel, Switzerland). 11. PMID 33652753 DOI: 10.3390/nano11030585   
2021 Reinot T, Khmelnitskiy A, Kell A, Jassas M, Jankowiak R. Exciton Lifetime Distributions and Population Dynamics in the FMO Protein Complex from . Acs Omega. 6: 5990-6008. PMID 33681637 DOI: 10.1021/acsomega.1c00286   
2021 Speelman T, Cunha AV, Kathir RK, Havenith RWA. Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit. Journal of Computational Chemistry. 42: 326-333. PMID 33616968 DOI: 10.1002/jcc.26458   
2021 Yin X, Li X. Computational study of oxidation mechanism of mineral green pigments. Journal of Molecular Modeling. 27: 108. PMID 33723664 DOI: 10.1007/s00894-021-04718-z   
2021 Secor M, Soudackov AV, Hammes-Schiffer S. Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels. The Journal of Physical Chemistry Letters. 12: 2206-2212. PMID 33630595 DOI: 10.1021/acs.jpclett.1c00229   
2021 Tan JA, Kuo JL. Fermi resonance switching in KrHRg and XeHRg (Rg = Ne, Ar, Kr, and Xe). The Journal of Chemical Physics. 154: 134302. PMID 33832263 DOI: 10.1063/5.0044703   
2021 Xu P, Sattasathuchana T, Guidez E, Webb SP, Montgomery K, Yasini H, Pedreira IFM, Gordon MS. Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithm. The Journal of Chemical Physics. 154: 104122. PMID 33722015 DOI: 10.1063/5.0040759