Demetrios George Sarantites - Related publications

1963- Chemistry Washington University, Saint Louis, St. Louis, MO 
Nuclear Chemistry, Radiochemistry
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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 Simons J. Analysis of Stabilization and Extrapolation Methods for Determining Energies and Lifetimes of Metastable Electronic States. The Journal of Physical Chemistry. A. PMID 34428376 DOI: 10.1021/acs.jpca.1c03920   
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 Lozano AI, Costa F, Ren X, Dorn A, Álvarez L, Blanco F, Limão-Vieira P, García G. Double and Triple Differential Cross Sections for Single Ionization of Benzene by Electron Impact. International Journal of Molecular Sciences. 22. PMID 33925653 DOI: 10.3390/ijms22094601   
2021 Claveau EE, Miliordos E. Electronic structure of the dicationic first row transition metal oxides. Physical Chemistry Chemical Physics : Pccp. PMID 34528643 DOI: 10.1039/d1cp02492b   
2021 Kahn Y, Krnjaic G, Mandava B. Dark Matter Detection with Bound Nuclear Targets: The Poisson Phonon Tail. Physical Review Letters. 127: 081804. PMID 34477403 DOI: 10.1103/PhysRevLett.127.081804   
2021 Grotjahn R, Kaupp M. Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2'-bipyridine)-Metal Complexes. The Journal of Physical Chemistry. A. 125: 7099-7110. PMID 34370482 DOI: 10.1021/acs.jpca.1c05101   
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 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 Lockwood SP, Chunga T, Metz RB. Bonding, Thermodynamics, and Dissociation Dynamics of NiO and NiS Determined by Photofragment Imaging and Theory. The Journal of Physical Chemistry. A. 125: 7425-7436. PMID 34427080 DOI: 10.1021/acs.jpca.1c05405   
2021 Vu THQ, Bondzior B, Stefańska D, Dereń PJ. Exploration of the Temperature Sensing Ability of LaMgTiO:Er Double Perovskites Using Thermally Coupled and Uncoupled Energy Levels. Materials (Basel, Switzerland). 14. PMID 34639954 DOI: 10.3390/ma14195557   
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 Freitag L, Lindenbauer L, Oppel M, González L. A density matrix renormalization group study of the low-lying excited states of a molybdenum carbonyl-nitrosyl complex. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34495578 DOI: 10.1002/cphc.202100549   
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 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 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 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 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 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 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 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 Menzel D, Tejada A, Al-Ashouri A, Levine I, Guerra JA, Rech B, Albrecht S, Korte L. Revisiting the Determination of the Valence Band Maximum and Defect Formation in Halide Perovskites for Solar Cells: Insights from Highly Sensitive Near-UV Photoemission Spectroscopy. Acs Applied Materials & Interfaces. PMID 34472345 DOI: 10.1021/acsami.1c10171   
2021 Lotay G, Gillespie SA, Williams M, Rauscher T, Alcorta M, Amthor AM, Andreoiu CA, Baal D, Ball GC, Bhattacharjee SS, Behnamian H, Bildstein V, Burbadge C, Catford WN, Doherty DT, et al. First Direct Measurement of an Astrophysical p-Process Reaction Cross Section Using a Radioactive Ion Beam. Physical Review Letters. 127: 112701. PMID 34558922 DOI: 10.1103/PhysRevLett.127.112701   
2021 Hasyim MR, Mandadapu KK. A theory of localized excitations in supercooled liquids. The Journal of Chemical Physics. 155: 044504. PMID 34340382 DOI: 10.1063/5.0056303   
2021 Seidler B, Sittig M, Zens C, Tran JH, Müller C, Zhang Y, Schneider KRA, Görls H, Schubert A, Gräfe S, Schulz M, Dietzek B. Modulating the Excited-State Decay Pathways of Cu(I) 4-Imidazolate Complexes by Excitation Wavelength and Ligand Backbone. The Journal of Physical Chemistry. B. PMID 34617757 DOI: 10.1021/acs.jpcb.1c06902   
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 Kunze L, Hansen A, Grimme S, Mewes JM. PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet-Triplet Gaps with Chemical Accuracy from Open-Shell Kohn-Sham Reaction-Field Calculations. The Journal of Physical Chemistry Letters. 12: 8470-8480. PMID 34449230 DOI: 10.1021/acs.jpclett.1c02299   
2021 Kennedy IR, Hodzic M. Partitioning Entropy with Action Mechanics: Predicting Chemical Reaction Rates and Gaseous Equilibria of Reactions of Hydrogen from Molecular Properties. Entropy (Basel, Switzerland). 23. PMID 34441196 DOI: 10.3390/e23081056   
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 Zhang WJ, Demireva M, Kim J, de Jong WA, Armentrout PB. Reactions of U with H, D, and HD Studied by Guided Ion Beam Tandem Mass Spectrometry and Theory. The Journal of Physical Chemistry. A. PMID 34473518 DOI: 10.1021/acs.jpca.1c05409   
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 Zhu YH, Tang XF, Chang XP, Zhang TS, Xie BB, Cui G. Mechanistic Photophysics of Tellurium-Substituted Uracils: Insights from Multistate Complete-Active-Space Second-Order Perturbation Calculations. The Journal of Physical Chemistry. A. 125: 8816-8826. PMID 34606278 DOI: 10.1021/acs.jpca.1c06169   
2021 Segarra-Martí J, Bearpark MJ. Modelling photoionisation in isocytosine: potential formation of longer-lived excited state cations in its keto form. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34370368 DOI: 10.1002/cphc.202100402   
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 Inui M, Kajihara Y, Hosokawa S, Chiba A, Nakajima Y, Matsuda K, Stellhorn JR, Hagiya T, Ishikawa D, Uchiyama H, Tsutsui S, Baron AQR. Low energy excitation in liquid Sb and liquid Bi observed in inelastic x-ray scattering spectra. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34438373 DOI: 10.1088/1361-648X/ac216c   
2021 Bary G, Ghani L, Jamil MI, Arslan M, Ahmed W, Ahmad A, Sajid M, Ahmad R, Huang D. Designing small organic non-fullerene acceptor molecules with diflorobenzene or quinoline core and dithiophene donor moiety through density functional theory. Scientific Reports. 11: 19683. PMID 34608168 DOI: 10.1038/s41598-021-97662-0   
2021 David G, Irons TJP, Fouda AEA, Furness JW, Teale AM. Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches. Journal of Chemical Theory and Computation. 17: 5492-5508. PMID 34517708 DOI: 10.1021/acs.jctc.1c00236   
2021 Sorour MI, Kistler KA, Marcus AH, Matsika S. Accurate Modeling of Excitonic Coupling in Cyanine Dye Cy3. The Journal of Physical Chemistry. A. PMID 34494437 DOI: 10.1021/acs.jpca.1c05556   
2021 Marceca E, Noble JA, Dedonder-Lardeux C, Jouvet C. Loss of CO from Monodeprotonated Phthalic Acid upon Photodissociation and Dissociative Electron Detachment. The Journal of Physical Chemistry. A. PMID 34415759 DOI: 10.1021/acs.jpca.1c04854   
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 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 Liu S, Zhou X, Chen Y, Liu Y, Yu S, Takahashi K, Ding H, Ding Z, Yang X, Dong W. Experimental and Computational Studies of Criegee Intermediate -CHCHOO Reaction with Hydrogen Chloride. The Journal of Physical Chemistry. A. PMID 34558283 DOI: 10.1021/acs.jpca.1c05578   
2021 Schnabel J, Cheng L, Köhn A. Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb. The Journal of Chemical Physics. 155: 124101. PMID 34598557 DOI: 10.1063/5.0062098   
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 Ghosh S, Sharma R, Adhikari S, Varandas AJC. Dynamical calculations of O(P) + OH(Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates. Physical Chemistry Chemical Physics : Pccp. PMID 34550126 DOI: 10.1039/d1cp02488d   
2021 Singh R, Pal S. (e,2e) Partial Ionization Cross Sections for -Butane. The Journal of Physical Chemistry. A. PMID 34553590 DOI: 10.1021/acs.jpca.1c06237   
2021 Li H, Wang X, Yuan K, Lv L, Li Z. Insights from QM/MM-ONIOM calculations: the TADF phenomenon of phenanthro[9,10-]imidazole-anthraquinone in the solid state. Physical Chemistry Chemical Physics : Pccp. PMID 34474457 DOI: 10.1039/d1cp00578b   
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 Gong J, Luo W, Lan W, Chen X, Wu H. Enhanced self-activated far-red photoluminescence from SrLiSbO phosphors by Gd doping for plant growth. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 266: 120416. PMID 34600321 DOI: 10.1016/j.saa.2021.120416   
2021 Otero Fumega A, Wong D, Schulz C, Rodrı Guez F, Blanco-Canosa S. Spectroscopy of the frustrated quantum antiferromagnet Cs2CuCl4. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34517361 DOI: 10.1088/1361-648X/ac2648