William P Bricker, Ph.D. - Related publications

2009-2014 Energy, Environmental and Chemical Engineering Washington University, Saint Louis, St. Louis, MO 
 2015- Biological Engineering Massachusetts Institute of Technology, Cambridge, MA, United States 
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Allahkaram L, Monari A, Dumont E. The Behavior of Triplet Thymine in a Model B-DNA Strand. Energetics and Spin Density Localization Revealed by ab initio Molecular Dynamics Simulations. Photochemistry and Photobiology. PMID 34699615 DOI: 10.1111/php.13549   
2021 Cho KH, Rhee YM. Computational elucidations on the role of vibrations in energy transfer processes of photosynthetic complexes. Physical Chemistry Chemical Physics : Pccp. PMID 34842245 DOI: 10.1039/d1cp04615b   
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 Cui X, Yan Y, Wei J. Role of Pigment-Protein Coupling in the Energy Transport Dynamics in the Fenna-Matthews-Olson Complex. The Journal of Physical Chemistry. B. PMID 34669415 DOI: 10.1021/acs.jpcb.1c06844   
2021 Lewis TN, Tonnelé C, Shuler WG, Kasun ZA, Sato H, Berges AJ, Rodriguez JR, Krische MJ, Casanova D, Bardeen CJ. Chemical Tuning of Exciton versus Charge-Transfer Excited States in Conformationally Restricted Arylene Cages. Journal of the American Chemical Society. PMID 34709810 DOI: 10.1021/jacs.1c08176   
2021 Hisama K, Orimoto Y, Pomogaeva A, Nakatani K, Aoki Y. Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules. The Journal of Chemical Physics. 155: 044110. PMID 34340364 DOI: 10.1063/5.0050096   
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 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 Ceselin G, Barone V, Tasinato N. Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry. Journal of Chemical Theory and Computation. 17: 7290-7311. PMID 34666488 DOI: 10.1021/acs.jctc.1c00788   
2021 Fassioli F, Park KH, Bard SE, Scholes GD. Femtosecond Photophysics of Molecular Polaritons. The Journal of Physical Chemistry Letters. 11444-11459. PMID 34792371 DOI: 10.1021/acs.jpclett.1c03183   
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 Mahbub S, Saha S, Ramakrishna G, Furgal JC. Beads on a Chain Fluorescent Oligomeric Materials: Interactions of Conjugated Organic Cross-Linkers with Silsesquioxane Cages. The Journal of Physical Chemistry. B. PMID 34641684 DOI: 10.1021/acs.jpcb.1c05282   
2021 Phelan BT, Mara MW, Chen LX. Excited-state structural dynamics of nickel complexes probed by optical and X-ray transient absorption spectroscopies: insights and implications. Chemical Communications (Cambridge, England). PMID 34695174 DOI: 10.1039/d1cc03875c   
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 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 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 Mahmood A, Irfan A, Wang JL. Developing efficient small molecule acceptors with sp2-hybridized nitrogen at different positions by density functional theory calculations, molecular dynamics simulations and machine learning. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34767281 DOI: 10.1002/chem.202103712   
2021 Patmanidis I, Alessandri R, de Vries AH, Marrink SJ. Comparing Dimerization Free Energies and Binding Modes of Small Aromatic Molecules with Different Force Fields. Molecules (Basel, Switzerland). 26. PMID 34641613 DOI: 10.3390/molecules26196069   
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 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 Galindo JF, Freixas VM, Tretiak S, Fernandez-Alberti S. Back-and-Forth Energy Transfer during Electronic Relaxation in a Chlorin-Perylene Dyad. The Journal of Physical Chemistry Letters. 12: 10394-10401. PMID 34669398 DOI: 10.1021/acs.jpclett.1c03034   
2021 Hosseinizadeh A, Breckwoldt N, Fung R, Sepehr R, Schmidt M, Schwander P, Santra R, Ourmazd A. Few-fs resolution of a photoactive protein traversing a conical intersection. Nature. PMID 34732893 DOI: 10.1038/s41586-021-04050-9   
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 Capistran BA, Yuwono SH, Moemeni M, Maity S, Vahdani A, Borhan B, Jackson JE, Piecuch P, Dantus M, Blanchard GJ. Excited-State Dynamics of a Substituted Fluorene Derivative. The Central Role of Hydrogen Bonding Interactions with the Solvent. The Journal of Physical Chemistry. B. PMID 34726920 DOI: 10.1021/acs.jpcb.1c06474   
2021 Ratcliff LE, Genovese L, Park H, Littlewood PB, Lopez-Bezanilla A. Exploring Metastable States in UOusing Hybrid Functionals and Dynamical Mean Field Theory. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34818628 DOI: 10.1088/1361-648X/ac3cf1   
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 Tao Z, Yu Q, Roy S, Hammes-Schiffer S. Direct Dynamics with Nuclear-Electronic Orbital Density Functional Theory. Accounts of Chemical Research. PMID 34726895 DOI: 10.1021/acs.accounts.1c00516   
2021 Wang T, Chen W, Xia S, Ren Z, Dai D, Yang X, Zhou C. Anisotropic d-d Transition in Rutile TiO. The Journal of Physical Chemistry Letters. 12: 10515-10520. PMID 34677987 DOI: 10.1021/acs.jpclett.1c02931   
2021 Kumar A, DeGregorio N, Iyengar SS. Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions. Journal of Chemical Theory and Computation. PMID 34623129 DOI: 10.1021/acs.jctc.1c00065   
2021 Centurion M, Wolf TJA, Yang J. Ultrafast Imaging of Molecules with Electron Diffraction. Annual Review of Physical Chemistry. PMID 34724395 DOI: 10.1146/annurev-physchem-082720-010539   
2021 Lu SY, Zuehlsdorff TJ, Hong H, Aguirre VP, Isborn CM, Shi L. The Influence of Electronic Polarization on Nonlinear Optical Spectroscopy. The Journal of Physical Chemistry. B. PMID 34726915 DOI: 10.1021/acs.jpcb.1c05914   
2021 Gessner N, Bäck AK, Knorr J, Nagel C, Marquetand P, Schatzschneider U, González L, Nuernberger P. Ultrafast photochemistry of a molybdenum carbonyl-nitrosyl complex with a triazacyclononane coligand. Physical Chemistry Chemical Physics : Pccp. PMID 34679150 DOI: 10.1039/d1cp03514b   
2021 Wei A, Lv S, Zhang Y, Xia C, Wang L. The configuration effect on the exciton dynamics of zinc chlorin aggregates. Physical Chemistry Chemical Physics : Pccp. 23: 25769-25775. PMID 34755738 DOI: 10.1039/d1cp03127a   
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 Gutiérrez-Arzaluz L, Nadinov I, Healing G, Czaban-Jóźwiak J, Jia J, Huang Z, Zhao Y, Shekhah O, Schanze KS, Eddaoudi M, Mohammed OF. Ultrafast Aggregation-Induced Tunable Emission Enhancement in a Benzothiadiazole-Based Fluorescent Metal-Organic Framework Linker. The Journal of Physical Chemistry. B. PMID 34846146 DOI: 10.1021/acs.jpcb.1c08889   
2021 Koyambo-Konzapa SJ, Mbesse Kongbonga GY, R P, Ramlina Vamhindi BSD, Nsangou M, Franklin Benial AM. Spectroscopic, quantum chemical, molecular docking and molecular dynamics investigations of hydroxylic indole-3-pyruvic acid: a potent candidate for nonlinear optical applications and Alzheimer's drug. Journal of Biomolecular Structure & Dynamics. 1-14. PMID 34263703 DOI: 10.1080/07391102.2021.1947380   
2021 Lv M, Wang X, Wang D, Li X, Liu Y, Pan H, Zhang S, Xu J, Chen J. Unravelling the role of charge transfer state during ultrafast intersystem crossing in compact organic chromophores. Physical Chemistry Chemical Physics : Pccp. 23: 25455-25466. PMID 34818402 DOI: 10.1039/d1cp02912f   
2021 Pandey S, Qu J, Stevanović V, St John P, Gorai P. Predicting energy and stability of known and hypothetical crystals using graph neural network. Patterns (New York, N.Y.). 2: 100361. PMID 34820646 DOI: 10.1016/j.patter.2021.100361   
2021 Li W, Kavatsyuk O, Douma W, Wang X, Hoekstra R, Mayer D, Robinson MS, Gühr M, Lalande M, Abdelmouleh M, Ryszka M, Poully JC, Schlathölter T. Multiple valence electron detachment following Auger decay of inner-shell vacancies in gas-phase DNA. Chemical Science. 12: 13177-13186. PMID 34745549 DOI: 10.1039/d1sc02885e   
2021 Yousefalizadeh G, Stamplecoskie KG. Photophysics of Ag and Au alloys of M(SR) clusters. The Journal of Chemical Physics. 155: 134301. PMID 34624992 DOI: 10.1063/5.0059624   
2021 Jeffries WR, Wallace JL, Knappenberger KL. Ultrafast relaxation dynamics of Au(SCH) monolayer-protected clusters resolved by two-dimensional electronic spectroscopy. The Journal of Chemical Physics. 155: 124303. PMID 34598589 DOI: 10.1063/5.0056832   
2021 Xu DH, Li L, Liu XY, Cui G. "On-The-Fly" Non-Adiabatic Dynamics Simulations on Photoinduced Ring-Closing Reaction of a Nucleoside-Based Diarylethene Photoswitch. Molecules (Basel, Switzerland). 26. PMID 34066431 DOI: 10.3390/molecules26092724   
2021 Kumar P, Escudero D. Computational Protocol to Calculate the Phosphorescence Energy of Pt(II) Complexes: Is the Lowest Triplet Excited State Always Involved in Emission? A Comprehensive Benchmark Study. Inorganic Chemistry. PMID 34702026 DOI: 10.1021/acs.inorgchem.1c02562   
2021 Demoulin B, Maiuri M, Berbasova T, Geiger JH, Borhan B, Garavelli M, Cerullo G, Rivalta I. Control of Protonated Schiff Base Excited State Decay within Visual Protein Mimics: A Unified Model for Retinal Chromophores. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34653286 DOI: 10.1002/chem.202102383   
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   
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 Yan J, Wilson RW, Buck JT, Grills DC, Reinheimer EW, Mani T. IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions. Chemical Science. 12: 12107-12117. PMID 34667576 DOI: 10.1039/d1sc03455c   
2021 Zhao A, Wu X, Jiang X, Gao J, Wang J, Shen W. Unveiling the mechanisms of organic room-temperature phosphorescence in various surrounding environments: a computational study. Physical Chemistry Chemical Physics : Pccp. PMID 34817494 DOI: 10.1039/d1cp03010h   
2021 Higgins JS, Allodi MA, Lloyd LT, Otto JP, Sohail SH, Saer RG, Wood RE, Massey SC, Ting PC, Blankenship RE, Engel GS. Redox conditions correlated with vibronic coupling modulate quantum beats in photosynthetic pigment-protein complexes. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34845027 DOI: 10.1073/pnas.2112817118   
2021 Liang Z, Yan L, Si J, Gong P, Li X, Liu D, Li J, Hou X. Rational Design and Characterization of Symmetry-Breaking Organic Semiconductors in Polymer Solar Cells: A Theory Insight of the Asymmetric Advantage. Materials (Basel, Switzerland). 14. PMID 34772245 DOI: 10.3390/ma14216723