Anthony J. McCaffery - Related publications

Chemistry University of Sussex, Falmer, England, United Kingdom 
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Lu D, Chen J, Guo H, Li J. Vibrational energy pooling collisions between asymmetric stretching excited CO: a quasi-classical trajectory study on an accurate full-dimensional potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 34671798 DOI: 10.1039/d1cp03687d   
2021 Baudhuin MA, Boopalachandran P, Rajan S, Leopold DG. A Study of NbMo and NbMo by Anion Photoelectron Spectroscopy. The Journal of Physical Chemistry. A. PMID 34723518 DOI: 10.1021/acs.jpca.1c07669   
2021 Wang Y, Cheng X. State-to-State Transition Study of the Exchange Reaction for N(S) and O(XΣ) Collision by Quasi-Classical Trajectory. The Journal of Physical Chemistry. A. PMID 34652155 DOI: 10.1021/acs.jpca.1c06386   
2021 Laamiri K, Garcia GA, Nahon L, Ben Houria A, Feifel R, Hochlaf M. Threshold photoelectron spectroscopy of 9-methyladenine: theory and experiment. Physical Chemistry Chemical Physics : Pccp. PMID 34676858 DOI: 10.1039/d1cp03729c   
2021 Lai KF, Salumbides EJ, Ubachs W, Beyer M. Shape Resonances in H_{2} as Photolysis Reaction Intermediates. Physical Review Letters. 127: 183001. PMID 34767422 DOI: 10.1103/PhysRevLett.127.183001   
2021 Wang Y, Shi S, Tan R, Yan W, Gao D, Wang D. Using quantum dynamics to study the effect of energy efficiency on the reactivity of the OH + DBr reaction. Physical Chemistry Chemical Physics : Pccp. PMID 34704993 DOI: 10.1039/d1cp04013h   
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 Hren ZR, Lazarock CR, Vincent TA, Rivera-Rivera LA, Wagner AF. Pressure Effects on the Relaxation of an Excited Ethane Molecule in High-Pressure Bath Gases. The Journal of Physical Chemistry. A. 125: 8680-8690. PMID 34582214 DOI: 10.1021/acs.jpca.1c05838   
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 Wustelt P, Oppermann F, Mhatre S, Kübel M, Sayler AM, Lein M, Gräfe S, Paulus GG. Laser-Driven Anharmonic Oscillator: Ground-State Dissociation of the Helium Hydride Molecular Ion by Midinfrared Pulses. Physical Review Letters. 127: 043202. PMID 34355921 DOI: 10.1103/PhysRevLett.127.043202   
2021 Fan QC, Jian J, Fan ZX, Fu J, Li HD, Ma J, Xie F. A method for predicting the molar heat capacities of HBr and HCl gases based on the full set of molecular rovibrational energies. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 267: 120564. PMID 34749112 DOI: 10.1016/j.saa.2021.120564   
2021 Tanteri S, Gordon SDS, Zou J, Osterwalder A. Study of He*/Ne*+Ar, Kr, N, H, D Chemi-Ionization Reactions by Electron Velocity-Map Imaging. The Journal of Physical Chemistry. A. PMID 34762426 DOI: 10.1021/acs.jpca.1c07232   
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 Pirlot P, Kalugina YN, Ramachandran R, Raffy G, Dagdigian PJ, Lique F. Collisional excitation of NH by H: Potential energy surface and scattering calculations. The Journal of Chemical Physics. 155: 134303. PMID 34624970 DOI: 10.1063/5.0066161   
2021 Makarem C, Wei J, Loomis RA, Darr JP. Vibrational predissociation intramolecular vibrational energy redistribution (IVR) in rare gas⋯dihalogen complexes: IVR identified in Ar⋯I(B, ') using velocity-map imaging. Physical Chemistry Chemical Physics : Pccp. PMID 34812449 DOI: 10.1039/d1cp04727b   
2021 Mukherjee S, Varganov SA. Intersystem crossing and internal conversion dynamics with GAIMS-TeraChem: Excited state relaxation in 2-cyclopentenone. The Journal of Chemical Physics. 155: 174107. PMID 34742200 DOI: 10.1063/5.0068040   
2021 Tenorio BNC, Decleva P, Coriani S. Multi-reference approach to the computation of double core-hole spectra. The Journal of Chemical Physics. 155: 131101. PMID 34624974 DOI: 10.1063/5.0062130   
2021 Zuo J, Croft JFE, Yao Q, Balakrishnan N, Guo H. Full-Dimensional Potential Energy Surface for Ro-vibrationally Inelastic Scattering between H Molecules. Journal of Chemical Theory and Computation. PMID 34677959 DOI: 10.1021/acs.jctc.1c00882   
2021 Kimber P, Goddard P, Wright IA, Plasser F. The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores. Physical Chemistry Chemical Physics : Pccp. PMID 34792045 DOI: 10.1039/d1cp03792g   
2021 Varga Z, Truhlar DG. Potential energy surface for high-energy N + N collisions. Physical Chemistry Chemical Physics : Pccp. PMID 34787127 DOI: 10.1039/d1cp04373k   
2021 Shida JF, Spieglan E, Adams BW, Angelico E, Domurat-Sousa K, Elagin A, Frisch HJ, La Riviere P, Squires AH. Low-Dose High-Resolution TOF-PET Using Ionization-activated Multi-State Low-Z Detector Media. Nuclear Instruments & Methods in Physics Research. Section a, Accelerators, Spectrometers, Detectors and Associated Equipment. 1017. PMID 34690392 DOI: 10.1016/j.nima.2021.165801   
2021 Dunnett AJ, Gowland D, Isborn CM, Chin AW, Zuehlsdorff TJ. Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue. The Journal of Chemical Physics. 155: 144112. PMID 34654312 DOI: 10.1063/5.0062950   
2021 Cravcenco A, Yu Y, Edhborg F, Goebel JF, Takacs Z, Yang Y, Albinsson B, Börjesson K. Exciton Delocalization Counteracts the Energy Gap: A New Pathway toward NIR-Emissive Dyes. Journal of the American Chemical Society. 143: 19232-19239. PMID 34748317 DOI: 10.1021/jacs.1c10654   
2021 Mackie CJ, Candian A, Lee TJ, Tielens AGGM. Modeling the infrared cascade spectra of small PAHs: the 11.2 μm band. Theoretical Chemistry Accounts. 140: 124. PMID 34720707 DOI: 10.1007/s00214-021-02807-z   
2021 Jouybari MY, Green JA, Improta R, Santoro F. The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model. The Journal of Physical Chemistry. A. PMID 34609880 DOI: 10.1021/acs.jpca.1c08132   
2021 Pershin AA, Torbin AP, Mikheyev PA, Kaiser RI, Mebel AM, Azyazov VN. Ozone destruction due to the recombination of oxygen atoms. The Journal of Chemical Physics. 155: 164307. PMID 34717353 DOI: 10.1063/5.0064361   
2021 Yang M, Schatz GC. Quasiclassical Trajectory Study of the O(P) + CO(Σ) Reaction at Hyperthermal Energies. The Journal of Physical Chemistry. A. 125: 8626-8634. PMID 34585571 DOI: 10.1021/acs.jpca.1c05836   
2021 Fu TH, Lin MY, Fu CB, Yu XF, Xiao B, Cheng JB, Li Q. The role of nitro group on the excited-state relaxation mechanism of P-Z base pair. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 120549. PMID 34810098 DOI: 10.1016/j.saa.2021.120549   
2021 Wells KA, Palmer JR, Yarnell JE, Garakyaraghi S, Pemberton BC, Favale JM, Valchar MK, Chakraborty A, Castellano FN. Understanding the influence of geometric and electronic structure on the excited state dynamical and photoredox properties of perinone chromophores. Physical Chemistry Chemical Physics : Pccp. PMID 34693948 DOI: 10.1039/d1cp03870b   
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 Kong J, Huo D, Jie J, Wu Y, Wan Y, Song Y, Zhou M. Effect of single electrons on the excited state dynamics of rod-shaped Au nanoclusters. Nanoscale. PMID 34788780 DOI: 10.1039/d1nr06208e   
2021 Merriles DM, Tomchak KH, Ewigleben JC, Morse MD. Predissociation measurements of the bond dissociation energies of EuO, TmO, and YbO. The Journal of Chemical Physics. 155: 144303. PMID 34654298 DOI: 10.1063/5.0068543   
2021 Chicharro DV, Hrodmarsson HR, Bouallagui A, Zanchet A, Loison JC, García GA, García-Vela A, Bañares L, Marggi Poullain S. Threshold Photoelectron Spectroscopy of the CHI, CHI, and CI Radicals. The Journal of Physical Chemistry. A. 125: 6122-6130. PMID 34232644 DOI: 10.1021/acs.jpca.1c03874   
2021 Singh DP, Thompson JOF, Reid KL, Powis I. Influence of Vibrational Excitation and Nuclear Dynamics in Multiphoton Photoelectron Circular Dichroism of Fenchone. The Journal of Physical Chemistry Letters. 11438-11443. PMID 34792356 DOI: 10.1021/acs.jpclett.1c03231   
2021 Vukalović J, Maljković JB, Tökési K, Predojević B, Marinković BP. Elastic Electron Scattering from Methane Molecule in the Energy Range from 50-300 eV. International Journal of Molecular Sciences. 22. PMID 33440715 DOI: 10.3390/ijms22020647   
2021 Blitz MA, Pilling MJ, Robertson SH, Seakins PW, Speak TH. Global Master Equation Analysis of Rate Data for the Reaction CH + H ⇄ CH: ΔCH. The Journal of Physical Chemistry. A. 125: 9548-9565. PMID 34704447 DOI: 10.1021/acs.jpca.1c05911   
2021 Guardado JL, Hood DJ, Luong K, Kidwell NM, Petit AS. Stereodynamic Control of Collision-Induced Nonadiabatic Dynamics of NO (Σ) with H, N, and CO: Intermolecular Interactions Drive Collision Outcomes. The Journal of Physical Chemistry. A. 125: 8803-8815. PMID 34606268 DOI: 10.1021/acs.jpca.1c05653   
2021 Balaganesh M, Song J, Kasai T, Lin KC. Photodissociation of CHBrCHBrC(O)Cl at 248 nm: probing Br as the primary fragment using cavity ring-down spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 34590099 DOI: 10.1039/d1cp02279b   
2021 Zhang Y, Wang Q, Ni S, Ji L, Cao Z, Qi J. The effect of spin-orbit coupling on molecular properties: Potential energy curve, transition dipole moment and laser cooling scheme of NH. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 120578. PMID 34815177 DOI: 10.1016/j.saa.2021.120578   
2021 Pomogaev V, Lee S, Shaik S, Filatov M, Choi CH. Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology. The Journal of Physical Chemistry Letters. 9963-9972. PMID 34617764 DOI: 10.1021/acs.jpclett.1c02494   
2021 Jang SJ. A simple generalization of the energy gap law for nonradiative processes. The Journal of Chemical Physics. 155: 164106. PMID 34717346 DOI: 10.1063/5.0068868   
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 Akimov AV. Excited state dynamics in monolayer black phosphorus revisited: Accounting for many-body effects. The Journal of Chemical Physics. 155: 134106. PMID 34624981 DOI: 10.1063/5.0065606   
2021 Fan KW, Luk HL, Phillips DL. Anti-Kasha Behavior of 3-Hydroxyflavone and Its Derivatives. International Journal of Molecular Sciences. 22. PMID 34681762 DOI: 10.3390/ijms222011103   
2021 Barone V, Li X, Spada L, Alessandrini S, Zheng Y, Lengsfeld KG, Grabow JU, Feng G, Puzzarini C. Stacked but not Stuck: Unveiling the Role of π → π* Interactions with the Help of the Benzofuran-Formaldehyde Complex. Angewandte Chemie (International Ed. in English). PMID 34697878 DOI: 10.1002/anie.202113737   
2021 Ma Q, Yang C, Bruno D, Zhang J. Molecular simulation of Rayleigh-Brillouin scattering in binary gas mixtures and extraction of the rotational relaxation numbers. Physical Review. E. 104: 035109. PMID 34654112 DOI: 10.1103/PhysRevE.104.035109   
2021 Wang H, Xiao Y, Xie Z, Sun H, Zhang X, Wang J, Huang R. 2-Hydroxybenzophenone Derivatives: ESIPT Fluorophores Based on Switchable Intramolecular Hydrogen Bonds and Excitation Energy-Dependent Emission. Frontiers in Chemistry. 9: 766179. PMID 34738006 DOI: 10.3389/fchem.2021.766179   
2021 Baweja S, Chowdhury PR, Maity S. Excited state hydrogen atom transfer pathways in 2,7-diazaindole - S (S = HO and NH) clusters. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 265: 120386. PMID 34560582 DOI: 10.1016/j.saa.2021.120386   
2021 Shachar A, Kallos I, de Vries MS, Bar I. Revealing the Structure and Noncovalent Interactions of Isolated Molecules by Laser-Desorption/Ionization-Loss Stimulated Raman Spectroscopy and Quantum Calculations. The Journal of Physical Chemistry Letters. 11273-11279. PMID 34767362 DOI: 10.1021/acs.jpclett.1c03336   
2021 Reitsma G, Patchkovskii S, Dura J, Drescher L, Mikosch J, Vrakking MJJ, Kornilov O. Vibrational Relaxation of XUV-Induced Hot Ground State Cations of Naphthalene. The Journal of Physical Chemistry. A. 125: 8549-8556. PMID 34569788 DOI: 10.1021/acs.jpca.1c05260