Katharine L. Reid, Ph.D - Related publications

Chemistry University of Nottingham, Nottingham, England, United Kingdom 
Physical chemistry
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Patanen M, Abid AR, Pratt ST, Kivimäki A, Trofimov AB, Skitnevskaya AD, Grigoricheva EK, Gromov EV, Powis I, Holland DMP. Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental-theoretical study. The Journal of Chemical Physics. 155: 054304. PMID 34364329 DOI: 10.1063/5.0058983   
2021 Deng GH, Qian Y, Zhang T, Han J, Chen H, Rao Y. Two-dimensional electronic-vibrational sum frequency spectroscopy for interactions of electronic and nuclear motions at interfaces. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34417312 DOI: 10.1073/pnas.2100608118   
2021 Papp D, Li J, Guo H, Czakó G. Vibrational mode-specificity in the dynamics of the Cl + CH → HCl + CH reaction. The Journal of Chemical Physics. 155: 114303. PMID 34551541 DOI: 10.1063/5.0062677   
2021 Yoneda Y, Kudisch B, Rafiq S, Maiuri M, Nagasawa Y, Scholes GD, Miyasaka H. Vibrational Dephasing along the Reaction Coordinate of an Electron Transfer Reaction. Journal of the American Chemical Society. PMID 34474559 DOI: 10.1021/jacs.1c01863   
2021 Freixas VM, Wilhelm P, Nelson T, Hinderer F, Höger S, Tretiak S, Lupton JM, Fernandez-Alberti S. Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw. The Journal of Physical Chemistry. A. PMID 34542292 DOI: 10.1021/acs.jpca.1c06332   
2021 Batignani G, Sansone C, Ferrante C, Fumero G, Mukamel S, Scopigno T. Excited-State Energy Surfaces in Molecules Revealed by Impulsive Stimulated Raman Excitation Profiles. The Journal of Physical Chemistry Letters. 9239-9247. PMID 34533307 DOI: 10.1021/acs.jpclett.1c02209   
2021 Waters MDJ, Du W, Carrascosa AM, Stankus B, Cacciarini M, Weber PM, Sølling TI. Transient Symmetry Controls Photo Dynamics near Conical Intersections. The Journal of Physical Chemistry Letters. 9220-9225. PMID 34529447 DOI: 10.1021/acs.jpclett.1c02334   
2021 DiRisio RJ, Finney JM, Dzugan LC, Madison LR, McCoy AB. Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of HO and HO. The Journal of Physical Chemistry. A. 125: 7185-7197. PMID 34433268 DOI: 10.1021/acs.jpca.1c05025   
2021 McCann PC, Hiramatsu K, Goda K. Highly Sensitive Low-Frequency Time-Domain Raman Spectroscopy via Fluorescence Encoding. The Journal of Physical Chemistry Letters. 12: 7859-7865. PMID 34382803 DOI: 10.1021/acs.jpclett.1c01741   
2021 Fredon A, Groenenboom GC, Cuppen HM. Molecular Dynamics Simulations of Energy Dissipation on Amorphous Solid Water: Testing the Validity of Equipartition. Acs Earth & Space Chemistry. 5: 2032-2041. PMID 34476319 DOI: 10.1021/acsearthspacechem.1c00116   
2021 Persinger TD, Han J, Heaven MC. Electronic Spectroscopy and Photoionization of LiBe. The Journal of Physical Chemistry. A. PMID 34520195 DOI: 10.1021/acs.jpca.1c07014   
2021 Green AE, Brown RH, Meizyte G, Mackenzie SR. Spectroscopy and Infrared Photofragmentation Dynamics of Mixed Ligand Ion-Molecule Complexes: Au(CO)(NO). The Journal of Physical Chemistry. A. 125: 7266-7277. PMID 34433267 DOI: 10.1021/acs.jpca.1c05800   
2021 Hu D, Peng J, Chen L, Gelin MF, Lan Z. Spectral Fingerprint of Excited-State Energy Transfer in Dendrimers through Polarization-Sensitive Transient-Absorption Pump-Probe Signals: On-the-Fly Nonadiabatic Dynamics Simulations. The Journal of Physical Chemistry Letters. 9710-9719. PMID 34590858 DOI: 10.1021/acs.jpclett.1c02640   
2021 Fortenberry RC, Francisco JS. Anharmonic fundamental vibrational frequencies and spectroscopic constants of the potential HSO radical astromolecule. The Journal of Chemical Physics. 155: 114301. PMID 34551550 DOI: 10.1063/5.0062560   
2021 DeWitt M, Babin MC, Neumark DM. High-Resolution Photoelectron Spectroscopy of Vibrationally Excited OH. The Journal of Physical Chemistry. A. 125: 7260-7265. PMID 34433266 DOI: 10.1021/acs.jpca.1c05514   
2021 Cole-Filipiak NC, Knepper R, Wood M, Ramasesha K. Mode-Selective Vibrational Energy Transfer Dynamics in 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) Thin Films. The Journal of Physical Chemistry. A. PMID 34464533 DOI: 10.1021/acs.jpca.1c04800   
2021 Box CL, Zhang Y, Yin R, Jiang B, Maurer RJ. Determining the Effect of Hot Electron Dissipation on Molecular Scattering Experiments at Metal Surfaces. Jacs Au. 1: 164-173. PMID 34467282 DOI: 10.1021/jacsau.0c00066   
2021 Liu R, Shang F, Xiong Y, Zhang C, Yang S, Zhou P, Liu J. A combined experimental and theoretical investigation of the excited-state dynamics of 2,4,6-trinitrotoluene (TNT) in DMSO solvent. Physical Chemistry Chemical Physics : Pccp. PMID 34516599 DOI: 10.1039/d1cp01782a   
2021 Song H, Zhu Y, Pan M, Yang M. Dissociative photodetachment of HO: a full-dimensional quantum dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 34590660 DOI: 10.1039/d1cp03495b   
2021 Stingel AM, Petersen PB. Full spectrum 2D IR spectroscopy reveals below-gap absorption and phonon dynamics in the mid-IR bandgap semiconductor InAs. The Journal of Chemical Physics. 155: 104202. PMID 34525815 DOI: 10.1063/5.0056217   
2021 Macaluso V, Hashem S, Nottoli M, Lipparini F, Cupellini L, Mennucci B. Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The Journal of Physical Chemistry. B. PMID 34476939 DOI: 10.1021/acs.jpcb.1c05753   
2021 Akhtar P, Caspy I, Nowakowski PJ, Malavath T, Nelson N, Tan HS, Lambrev PH. Two-Dimensional Electronic Spectroscopy of a Minimal Photosystem I Complex Reveals the Rate of Primary Charge Separation. Journal of the American Chemical Society. PMID 34472838 DOI: 10.1021/jacs.1c05010   
2021 Inakollu VSS, Yu H. Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations. Structural Dynamics (Melville, N.Y.). 8: 054101. PMID 34549074 DOI: 10.1063/4.0000124   
2021 Guo L, Jia Y, Liu M, Jia X, Hu S, Lu R, Han S, Chen J. Temporal characterization of electron dynamics in attosecond XUV and infrared laser fields. Optics Express. 29: 27460-27471. PMID 34615161 DOI: 10.1364/OE.432881   
2021 Martinez P, Blanchet V, Descamps D, Dory JB, Fourment C, Papagiannouli I, Petit S, Raty JY, Noé P, Gaudin J. Sub-Picosecond Non-Equilibrium States in the Amorphous Phase of GeTe Phase-Change Material Thin Films. Advanced Materials (Deerfield Beach, Fla.). e2102721. PMID 34427368 DOI: 10.1002/adma.202102721   
2021 Ota C, Matsumoto A, Hidaka T, Sugihara K, Teramoto T, Nagasawa Y. Ultrafast Dynamics of a Solvatochromic Dye, Phenol Blue: Tautomerization and Coherent Wavepacket Oscillations. The Journal of Physical Chemistry. B. 125: 10832-10842. PMID 34543033 DOI: 10.1021/acs.jpcb.1c07501   
2021 Chakravarty C, Aksu H, Maiti B, Dunietz BD. Electronic Spectra of C Films Using Screened Range Separated Hybrid Functionals. The Journal of Physical Chemistry. A. PMID 34448570 DOI: 10.1021/acs.jpca.1c04908   
2021 Nag P, Anand N, Vennapusa SR. Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach. The Journal of Chemical Physics. 155: 094301. PMID 34496583 DOI: 10.1063/5.0060934   
2021 Hanson MD, Readnour JA, Hassanali AA, Corcelli SA. Coupled Local-Mode Approach for the Calculation of Vibrational Spectra: Application to Protonated Water Clusters. The Journal of Physical Chemistry Letters. 12: 9226-9232. PMID 34529914 DOI: 10.1021/acs.jpclett.1c02254   
2021 Fletcher JD, Lanfri L, Ritchie GAD, Hancock G, Islam M, Richmond G. Time-resolved observations of vibrationally excited NO X Π (') formed from collisional quenching of NO A Σ ( = 0) by NO X Π: evidence for the participation of the NO a Π state. Physical Chemistry Chemical Physics : Pccp. PMID 34498634 DOI: 10.1039/d1cp03360c   
2021 Kim KK, Kim J, Woo KC, Kim SK. S-State Decay Dynamics of Benzenediols (Catechol, Resorcinol, and Hydroquinone) and Their 1:1 Water Clusters. The Journal of Physical Chemistry. A. PMID 34432455 DOI: 10.1021/acs.jpca.1c05448   
2021 Bhattacharyya D, Zhang Y, Elles CG, Bradforth SE. Electronic Structure of Liquid Alkanes: A Representative Case of Liquid Hexanes and Cyclohexane Studied Using Polarization-Dependent Two-Photon Absorption Spectroscopy. The Journal of Physical Chemistry. A. PMID 34478284 DOI: 10.1021/acs.jpca.1c06230   
2021 Sun G, Zheng X, Xu K, Song Y, Zhang J. Photodissociation Dynamics of Vinoxy Radical via the B̃A″ State: The H + CHCO Product Channel. The Journal of Physical Chemistry. A. PMID 34607427 DOI: 10.1021/acs.jpca.1c07099   
2021 Eckert S, Vaz da Cruz V, Ochmann M, von Ahnen I, Föhlisch A, Huse N. Breaking the Symmetry of Pyrimidine: Solvent Effects and Core-Excited State Dynamics. The Journal of Physical Chemistry Letters. 12: 8637-8643. PMID 34472857 DOI: 10.1021/acs.jpclett.1c01865   
2021 Park SM, Kwon CH. Development and Verification of Conformer-Specific Vibrational Spectroscopy. The Journal of Physical Chemistry. A. PMID 34628860 DOI: 10.1021/acs.jpca.1c07162   
2021 Li RR, Hoffmann MR. Theoretical Calculations of the 242 nm Absorption of Propargyl Radical. The Journal of Physical Chemistry. A. PMID 34570514 DOI: 10.1021/acs.jpca.1c05672   
2021 Marks JH, Rittgers BM, Van Stipdonk MJ, Duncan MA. Photodissociation and Infrared Spectroscopy of Uranium-Nitrogen Cation Complexes. The Journal of Physical Chemistry. A. PMID 34387501 DOI: 10.1021/acs.jpca.1c05823   
2021 Erukala S, Feinberg A, Singh A, Vilesov AF. Infrared spectroscopy of carbocations upon electron ionization of ethylene in helium nanodroplets. The Journal of Chemical Physics. 155: 084306. PMID 34470362 DOI: 10.1063/5.0062171   
2021 Forbes R, Neville SP, Larsen MAB, Röder A, Boguslavskiy AE, Lausten R, Schuurman MS, Stolow A. Vacuum Ultraviolet Excited State Dynamics of the Smallest Ketone: Acetone. The Journal of Physical Chemistry Letters. 8541-8547. PMID 34464141 DOI: 10.1021/acs.jpclett.1c02612   
2021 Song R, Hou C, Yang C, Yang X, Guo Q, Shan X. Modeling, Validation, and Performance of Two Tandem Cylinder Piezoelectric Energy Harvesters in Water Flow. Micromachines. 12. PMID 34442494 DOI: 10.3390/mi12080872   
2021 Wang W, Zhou J, Liu B, Wang X. Exciting the Isomeric ^{229}Th Nuclear State via Laser-Driven Electron Recollision. Physical Review Letters. 127: 052501. PMID 34397255 DOI: 10.1103/PhysRevLett.127.052501   
2021 Wang H, Guan Q, Wang X. Theoretical study on pentiptycene molecular brake: photoinduced isomerization and photoinduced electron transfer. Journal of Molecular Modeling. 27: 289. PMID 34536143 DOI: 10.1007/s00894-021-04900-3   
2021 Sun F, Lu C, Ma Y, Pan S, Wang J, Zhang W, Qiang J, Chen F, Ni H, Li H, Wu J. Orbital effects in strong-field Rydberg state excitation of N, Ar, O and Xe. Optics Express. 29: 31240-31248. PMID 34615224 DOI: 10.1364/OE.437437   
2021 Hao X, Guo Z, Haijing L, Gong Y, Chen D. Anomalous enhancement of atomic vibration induced by electronic transition in 2H-MoTe2 under compression. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34584018 DOI: 10.1088/1361-648X/ac2ad1   
2021 Pressacco F, Sangalli D, Uhlíř V, Kutnyakhov D, Arregi JA, Agustsson SY, Brenner G, Redlin H, Heber M, Vasilyev D, Demsar J, Schönhense G, Gatti M, Marini A, Wurth W, et al. Subpicosecond metamagnetic phase transition in FeRh driven by non-equilibrium electron dynamics. Nature Communications. 12: 5088. PMID 34429414 DOI: 10.1038/s41467-021-25347-3   
2021 Bhattacharya D, Shamasundar KR, Emmanouilidou A. Potential Energy Curves of Molecular Nitrogen for Singly and Doubly Ionized States with Core and Valence Holes. The Journal of Physical Chemistry. A. PMID 34477371 DOI: 10.1021/acs.jpca.1c04613   
2021 Cao Y, Halls MD, Vadicherla TR, Friesner RA. Pseudospectral implementations of long-range corrected density functional theory. Journal of Computational Chemistry. PMID 34415620 DOI: 10.1002/jcc.26739   
2021 Sun G, Wang XH, Li J, Yang BT, Gao Y, Geng Y. Effect of hybridized local and charge transfer molecules rotation in excited state on exciton utilization. Scientific Reports. 11: 17686. PMID 34480055 DOI: 10.1038/s41598-021-97229-z   
2021 Espy M, Klasky M, James M, Moir D, Mendez J, Morneau R, Shurter R, Sedillo R, Volegov P, Gehring A. Spectral characterization of flash and high flux x-ray radiographic sources with a magnetic Compton spectrometer. The Review of Scientific Instruments. 92: 083102. PMID 34470406 DOI: 10.1063/5.0053184   
2021 Hohenstein EG, Yu JK, Bannwarth C, List NH, Paul AC, Folkestad SD, Koch H, Martínez TJ. Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory. Journal of Chemical Theory and Computation. PMID 34623139 DOI: 10.1021/acs.jctc.1c00478