Gabriel Balint-Kurti, Ph.D. - Related publications

Affiliations: 
School of Chemistry University of Bristol, Bristol, England, United Kingdom 
Area:
theoretical chemistry
Website:
http://www.bris.ac.uk/chemistry/people/gabriel-g-balint-kurti/index.html
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 Luo Z, Chang Y, Zhao Y, Yang J, Chen Z, Cheng Y, Che L, Wu G, Yang X, Yuan K. Photodissociation Dynamics of HO via the ' (B) Electronic State. The Journal of Physical Chemistry. A. PMID 33891426 DOI: 10.1021/acs.jpca.1c01459   
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 Parsons BF, Jayson CJ, Szpunar DE, Cook MM. Photodissociation of the N-NO Complex between 225.8 and 224.0 nm. The Journal of Physical Chemistry. A. 125: 3406-3414. PMID 33852318 DOI: 10.1021/acs.jpca.1c01920   
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 Pápai M, Li X, Nielsen MM, Møller KB. Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine. Physical Chemistry Chemical Physics : Pccp. PMID 33913464 DOI: 10.1039/d1cp00771h   
2021 Koulentianos D, Carniato S, Püttner R, Martins JB, Travnikova O, Marchenko T, Journel L, Guillemin R, Ismail I, Céolin D, Piancastelli MN, Feifel R, Simon M. The O KV spectrum of CO: the influence of the second core-hole. Physical Chemistry Chemical Physics : Pccp. 23: 10780-10790. PMID 33908498 DOI: 10.1039/d1cp00607j   
2021 Lykhin AO, Truhlar DG, Gagliardi L. Role of Triplet States in the Photodynamics of Aniline. Journal of the American Chemical Society. 143: 5878-5889. PMID 33843225 DOI: 10.1021/jacs.1c00989   
2021 Ishizaki A, Fleming GR. Insights into Photosynthetic Energy Transfer Gained from Free-Energy Structure: Coherent Transport, Incoherent Hopping, and Vibrational Assistance Revisited. The Journal of Physical Chemistry. B. PMID 33724833 DOI: 10.1021/acs.jpcb.0c09847   
2021 Pawłowski F, Ortiz JV. Ionization Energies and Dyson Orbitals of the Iso-electronic SO, O, and S Molecules from Electron Propagator Calculations. The Journal of Physical Chemistry. A. PMID 33886321 DOI: 10.1021/acs.jpca.1c01759   
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 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 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 Mondal S, Mondal S, Seki K, Bagchi B. An exact solution in the theory of fluorescence resonance energy transfer with vibrational relaxation. The Journal of Chemical Physics. 154: 134104. PMID 33832249 DOI: 10.1063/5.0045008   
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 Cai W, Ren K, Zhao A, Wu X, He R, Li M, Shen W. The study of intramolecular decay and intermolecular energy transfer for phosphorescent organic light-emitting devices. Physical Chemistry Chemical Physics : Pccp. 23: 7495-7503. PMID 33876109 DOI: 10.1039/d1cp00109d   
2021 Yu T, Wu X, Ning X, Chen Y, Zhou X, Dai X, Liu F, Liu S. Ro-vibrational Distribution of NO Dissociated from NO Ions in the aB and bA States: A Slow "Impulsive" Dissociation Example Revealed from Threshold Photoelectron-Photoion Coincidence Imaging. The Journal of Physical Chemistry. A. PMID 33861064 DOI: 10.1021/acs.jpca.1c00701   
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 Li TE, Nitzan A, Subotnik JE. Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption. The Journal of Chemical Physics. 154: 094124. PMID 33685184 DOI: 10.1063/5.0037623   
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 Nascimento DR, Biasin E, Poulter BI, Khalil M, Sokaras D, Govind N. Resonant Inelastic X-ray Scattering Calculations of Transition Metal Complexes Within a Simplified Time-Dependent Density Functional Theory Framework. Journal of Chemical Theory and Computation. PMID 33909424 DOI: 10.1021/acs.jctc.1c00144   
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 Xu H, Cao W, Zhang J, Mo Y, Mi K, Yang Z, Zhang Q, Lu P. Mapping time-dependent quasi-energies of laser dressed helium. Optics Express. 29: 11342-11352. PMID 33820248 DOI: 10.1364/OE.422632   
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 Liu Y, Li J, Felker PM, Bačić Z. HCl-HO dimer: an accurate full-dimensional potential energy surface and fully coupled quantum calculations of intra- and intermolecular vibrational states and frequency shifts. Physical Chemistry Chemical Physics : Pccp. 23: 7101-7114. PMID 33876076 DOI: 10.1039/d1cp00865j   
2021 Wehrli D, Génévriez M, Merkt F. Spectroscopic characterization of a thermodynamically stable doubly charged diatomic molecule: MgAr. Physical Chemistry Chemical Physics : Pccp. 23: 10978-10987. PMID 33928972 DOI: 10.1039/d1cp00730k   
2021 Fábri C, Halász GJ, Cederbaum LS, Vibók Á. Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde. The Journal of Chemical Physics. 154: 124308. PMID 33810660 DOI: 10.1063/5.0045069   
2021 Cairncross WB, Zhang JT, Picard LRB, Yu Y, Wang K, Ni KK. Assembly of a Rovibrational Ground State Molecule in an Optical Tweezer. Physical Review Letters. 126: 123402. PMID 33834818 DOI: 10.1103/PhysRevLett.126.123402   
2021 Karashima S, Suzuki YI, Suzuki T. Ultrafast Extreme Ultraviolet Photoelectron Spectroscopy of Nonadiabatic Photodissociation of CS from B (Σ) State: Product Formation via an Intermediate Electronic State. The Journal of Physical Chemistry Letters. 12: 3755-3761. PMID 33844534 DOI: 10.1021/acs.jpclett.1c00864   
2021 Luo X, Shi W, Yang Y, Song Y, Li Y. Systematic theoretical investigation of two novel molecules BtyC-1 and BtyC-2 based on ESIPT mechanism. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 258: 119810. PMID 33930853 DOI: 10.1016/j.saa.2021.119810   
2021 Lee S, Goodman JM. VRAI-selectivity: calculation of selectivity beyond transition state theory. Organic & Biomolecular Chemistry. 19: 3940-3947. PMID 33949564 DOI: 10.1039/d1ob00234a   
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 Roy P, Sardjan AS, Cnossen A, Browne WR, Feringa BL, Meech SR. Excited State Structure Correlates with Efficient Photoconversion in Unidirectional Motors. The Journal of Physical Chemistry Letters. 3367-3372. PMID 33784091 DOI: 10.1021/acs.jpclett.1c00710   
2021 Woźniak AP, Lesiuk M, Przybytek M, Efimov DK, Prauzner-Bechcicki JS, Mandrysz M, Ciappina M, Pisanty E, Zakrzewski J, Lewenstein M, Moszyński R. A systematic construction of Gaussian basis sets for the description of laser field ionization and high-harmonic generation. The Journal of Chemical Physics. 154: 094111. PMID 33685145 DOI: 10.1063/5.0040879   
2021 Yang L, Da B, Tőkési K, Ding ZJ. Individual separation of surface, bulk and Begrenzungs effect components in the surface electron energy spectra. Scientific Reports. 11: 5954. PMID 33723341 DOI: 10.1038/s41598-021-85429-6   
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 Privat E, Guillon G, Honvault P. Direct time delay computation applied to the O + O exchange reaction at low energy: Lifetime spectrum of O species. The Journal of Chemical Physics. 154: 104303. PMID 33722056 DOI: 10.1063/5.0040717   
2021 Park W, Lee S, Huix-Rotllant M, Filatov M, Choi CH. Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine. The Journal of Physical Chemistry Letters. 4339-4346. PMID 33929858 DOI: 10.1021/acs.jpclett.1c00712   
2021 Morita M, Zuo J, Guo H, Balakrishnan N. Rainbow scattering in rotationally inelastic collisions of HCl and H. The Journal of Chemical Physics. 154: 104304. PMID 33722024 DOI: 10.1063/5.0043658   
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 Ben Krid A, Ajili Y, Ben Abdallah D, Dhib M, Aroui H, Hochlaf M. Explicitly correlated potential energy surface of the CHCl-He van der Waals complex and applications. The Journal of Chemical Physics. 154: 094304. PMID 33685174 DOI: 10.1063/5.0038677   
2021 Zhao B, Manthe U. Direct product-type grid representations for angular coordinates in extended space and their application in the MCTDH approach. The Journal of Chemical Physics. 154: 104115. PMID 33722051 DOI: 10.1063/5.0045054   
2021 Kim J, Armentrout PB. Thermochemistry of the Ir + SO reaction using guided ion beam tandem mass spectrometry and theory. The Journal of Chemical Physics. 154: 124302. PMID 33810653 DOI: 10.1063/5.0047513   
2021 Zhang X, Chen J, Xu X, Liu S, Zhang DH. A neural network potential energy surface for the F + HO ↔ HF + OH reaction and quantum dynamics study of the isotopic effect. Physical Chemistry Chemical Physics : Pccp. 23: 8809-8816. PMID 33876040 DOI: 10.1039/d1cp00641j   
2021 Thøgersen J, Weidner T, Jensen F. The primary photolysis dynamics of oxalate in aqueous solution: decarboxylation. Physical Chemistry Chemical Physics : Pccp. PMID 33870982 DOI: 10.1039/d1cp00205h   
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 Faraji E, Franzosi R, Mancini S, Pettini M. Energy transfer to the phonons of a macromolecule through light pumping. Scientific Reports. 11: 6591. PMID 33758269 DOI: 10.1038/s41598-021-85856-5   
2021 Guo M, Wang Z, Wang F. Stationary Points on Potential Energy Surface of Cyclic CH with Coupled-Cluster Approaches and Density Functional Theory. The Journal of Physical Chemistry. A. PMID 33973772 DOI: 10.1021/acs.jpca.1c01007   
2021 Sun Z, Yao H, Ren X, Liu Y, Wang D, Zhao W, Wang C, Yang C. Imaging of electron transition and bond breaking in the photodissociation of H via ultrafast X-ray photoelectron diffraction. Optics Express. 29: 10893-10902. PMID 33820212 DOI: 10.1364/OE.416927   
2021 Gelin MF, Huang X, Xie W, Chen L, Došlić NA, Domcke W. Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump-Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway-Window Representation. Journal of Chemical Theory and Computation. PMID 33755464 DOI: 10.1021/acs.jctc.1c00109