David Zipse, Ph.D. - Related publications

Affiliations: 
2004 Florida State University, Tallahassee, FL, United States 
Area:
Physical Chemistry
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Fransson T, Brumboiu IE, Vidal ML, Norman P, Coriani S, Dreuw A. XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of Chemical Theory and Computation. PMID 33544612 DOI: 10.1021/acs.jctc.0c01082   
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 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 Liu J, Chen MW, Miller TA. Laser-Induced Fluorescence Spectroscopy of Large Secondary Alkoxy Radicals: Part II. Rotational and Fine Structure. The Journal of Physical Chemistry. A. PMID 33565876 DOI: 10.1021/acs.jpca.0c10663   
2021 Mason JL, Harb H, Taka AA, McMahon AJ, Huizenga CD, Corzo H, Hratchian HP, Jarrold CC. Photoelectron Spectra of GdO and Nonmonotonic Photon-Energy-Dependent Variations in Populations of Close-Lying Neutral States. The Journal of Physical Chemistry. A. 125: 857-866. PMID 33463153 DOI: 10.1021/acs.jpca.0c11002   
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 Li M, Du EW, Liang YY, Shen YH, Chen J, Ju W, An Y, Gong SJ. Electric control of nearly free electron states and ferromagnetism in the transition-metal dichalcogenides monolayers. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33690184 DOI: 10.1088/1361-648X/abed1c   
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 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 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 Yan M, Jin Y, Wu Z, Tsaturyan A, Makarova A, Smirnov D, Voloshina E, Dedkov Y. Correlations in the Electronic Structure of van der Waals NiPS Crystals: An X-ray Absorption and Resonant Photoelectron Spectroscopy Study. The Journal of Physical Chemistry Letters. 2400-2405. PMID 33661001 DOI: 10.1021/acs.jpclett.1c00394   
2021 Wibowo M, Irons TJP, Teale AM. Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods. Journal of Chemical Theory and Computation. PMID 33724806 DOI: 10.1021/acs.jctc.0c01269   
2021 Klein BP, Ruppenthal L, Hall SJ, Sattler LE, Weber SM, Herritsch J, Jaegermann A, Maurer RJ, Hilt G, Gottfried M. Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33768634 DOI: 10.1002/cphc.202100222   
2021 Krupka M, Singh S, Pisarczyk T, Dostal J, Kalal M, Krasa J, Dudzak R, Burian T, Jelinek S, Chodukowski T, Rusiniak Z, Krus M, Juha L. Design of modular multi-channel electron spectrometers for application in laser matter interaction experiments at Prague Asterix Laser System. The Review of Scientific Instruments. 92: 023514. PMID 33648071 DOI: 10.1063/5.0029849   
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 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 Das AK, Maity S, Sengupta T, Bista D, Reber AC, Patra A, Khanna SN, Mandal S. One-Dimensional Silver-Thiolate Cluster-Assembly: Effect of Argentophilic Interactions on Excited-State Dynamics. The Journal of Physical Chemistry Letters. 2154-2159. PMID 33626284 DOI: 10.1021/acs.jpclett.0c03728   
2021 Chen K, Kurganskii IV, Zhang X, Elmali A, Zhao J, Karatay A, Fedin MV. Intersystem Crossing and Electron Spin Selectivity in Anthracene-Naphthalimide Compact Electron Donor-Acceptor Dyads Showing Different Geometry and Electronic Coupling Magnitudes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33780070 DOI: 10.1002/chem.202100611   
2021 Chen K, Kurganskii IV, Zhang X, Elmali A, Zhao J, Karatay A, Fedin MV. Intersystem Crossing and Electron Spin Selectivity in Anthracene-Naphthalimide Compact Electron Donor-Acceptor Dyads Showing Different Geometry and Electronic Coupling Magnitudes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33780070 DOI: 10.1002/chem.202100611   
2021 Shelton JL, Knowles KE. Thermally Activated Optical Absorption into Polaronic States in Hematite. The Journal of Physical Chemistry Letters. 3343-3351. PMID 33779162 DOI: 10.1021/acs.jpclett.0c03751   
2021 Chen X, Pang J, Imran M, Li X, Zhao J, Li M. Charge separation, charge recombination and intersystem crossing in orthogonal naphthalimide-perylene electron donor/acceptor dyad. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 20: 69-85. PMID 33721237 DOI: 10.1007/s43630-020-00002-w   
2021 Liu Y, Ma C, Leonen CJA, Chatterjee C, Nováková G, Marek A, Tureček F. Tackling a Curious Case: Generation of Charge-Tagged Guanosine Radicals by Gas-Phase Electron Transfer and Their Characterization by UV-vis Photodissociation Action Spectroscopy and Theory. Journal of the American Society For Mass Spectrometry. PMID 33567214 DOI: 10.1021/jasms.0c00459   
2021 Nandadasa CN, Lee K, Bang J, Park J, Kim SW, Kim SG. Stoner enhancement from interstitial electrons in YC toward a spontaneous ferromagnetic electride. Dalton Transactions (Cambridge, England : 2003). PMID 33688876 DOI: 10.1039/d0dt04269b   
2021 Zhang H, Zhang S, Kang D, Dai J, Bonitz M. Finite-temperature density-functional-theory investigation on the nonequilibrium transient warm-dense-matter state created by laser excitation. Physical Review. E. 103: 013210. PMID 33601505 DOI: 10.1103/PhysRevE.103.013210   
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 Zhou H, Lu D, Fang S, Liu C, Chen Y, Hu Y, Luo Q. Prompting direct single electron transfer to produce non-radical O/H* by electro-activating peroxydisulfate process with core-shell cathode. Journal of Environmental Management. 287: 112294. PMID 33714046 DOI: 10.1016/j.jenvman.2021.112294   
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 Hernández JG, Narayanan J, Hernández EG, Thangarasu P. Understanding of [RuL(ONO)] acting as nitric oxide precursor, a theoretical study of ruthenium complexes of 1,4,8,11-tetraazacyclo- tetradecane having different substituents: How spin multiplicity influences bond angle and bond lengths (Ru-O-NO) in releasing of NO. Journal of Inorganic Biochemistry. 218: 111406. PMID 33773324 DOI: 10.1016/j.jinorgbio.2021.111406   
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 Xiao F, Wang Z, Fan J, Majima T, Zhao H, Zhao G. Selective electrocatalytic reduction of oxygen to hydroxyl radicals via 3-electron pathway with FeCo alloy encapsulated carbon aerogel for fast and complete removing pollutants. Angewandte Chemie (International Ed. in English). PMID 33606335 DOI: 10.1002/anie.202101804   
2021 Xiang Q, Xu J, Guo J, Dang Y, Xu Z, Zeng Z, Sun Z. Unveiling the Hidden σ-Dimerization of a Kinetically Protected Olympicenyl Radical. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33783053 DOI: 10.1002/chem.202100631   
2021 Zhu S, Li X, Jiao X, Shao W, Li L, Zu X, Hu J, Zhu J, Yan W, Wang C, Sun Y, Xie Y. Selective CO Photoreduction into C Product Enabled by Charge-Polarized Metal Pair Sites. Nano Letters. PMID 33646780 DOI: 10.1021/acs.nanolett.1c00383   
2021 Gallego-Parra S, Vilaplana R, Gomis O, Lora da Silva E, Otero-de-la-Roza A, Rodríguez-Hernández P, Muñoz A, González J, Sans JA, Cuenca-Gotor VP, Ibáñez J, Popescu C, Manjón FJ. Structural, vibrational and electronic properties of α'-GaS under compression. Physical Chemistry Chemical Physics : Pccp. PMID 33725033 DOI: 10.1039/d0cp06417c   
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 Cheng X, Zhou B, Zhou B, Zhou G. Strain effect on electronic structure and transport properties of zigzag α-T3 nanoribbons: A mean-field theoretical study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33578408 DOI: 10.1088/1361-648X/abe608   
2021 Cheng X, Zhou B, Zhou B, Zhou G. Strain effect on electronic structure and transport properties of zigzag α-T3 nanoribbons: A mean-field theoretical study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33578408 DOI: 10.1088/1361-648X/abe608   
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 Yu P, Li Y, Zhao H, Zhu L, Wang Y, Xu W, Zhen Y, Wang X, Dong H, Zhu D, Hu W. 1D Mixed-Stack Cocrystals Based on Perylene Diimide toward Ambipolar Charge Transport. Small (Weinheim An Der Bergstrasse, Germany). e2006574. PMID 33825322 DOI: 10.1002/smll.202006574   
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 Li C, Hofmeister E, Krivtsov I, Mitoraj D, Adler C, Beranek R, Dietzek B. Photodriven Charge Accumulation and Carrier Dynamics in a Water-Soluble Carbon Nitride Photocatalyst. Chemsuschem. PMID 33586917 DOI: 10.1002/cssc.202002921   
2021 Hait D, Liang YH, Head-Gordon M. Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems. The Journal of Chemical Physics. 154: 074109. PMID 33607884 DOI: 10.1063/5.0038694   
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 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 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 Chen L, Wang M, Feng Y, Xu X, Luo X, Zhang Z. Production of bioelectricity may play an important role for the survival of Xanthomonas campestris pv. campestris (Xcc) under anaerobic conditions. The Science of the Total Environment. 768: 144335. PMID 33736299 DOI: 10.1016/j.scitotenv.2020.144335   
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 Banerjee S, Sokolov AY. Efficient implementation of the single-reference algebraic diagrammatic construction theory for charged excitations: Applications to the TEMPO radical and DNA base pairs. The Journal of Chemical Physics. 154: 074105. PMID 33607870 DOI: 10.1063/5.0040317   
2021 Chen D, Zysman-Colman E. Exploring the possibility of using fluorine-involved non-conjugated electron-withdrawing groups for thermally activated delayed fluorescence emitters by TD-DFT calculation. Beilstein Journal of Organic Chemistry. 17: 210-223. PMID 33564331 DOI: 10.3762/bjoc.17.21   
2021 Zhang W, Chai C, Fan Q, Sun M, Song Y, Yang Y, Schwingenschlögl U. Two-Dimensional Tetrahex-GeC: A Material with Tunable Electronic and Optical Properties Combined with Ultrahigh Carrier Mobility. Acs Applied Materials & Interfaces. PMID 33736432 DOI: 10.1021/acsami.0c23017