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Veronica Vaida - Related publications

Chemistry and Biochemistry University of Colorado, Boulder, Boulder, CO, United States 
spectroscopy and reactivity of atmospheric molecules and radicals
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Church JR, Vaida V, Skodje RT. Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO. The Journal of Physical Chemistry. A. PMID 33705144 DOI: 10.1021/acs.jpca.0c10475   
2021 Yu H, Wang K, Szilvási T, Nayani K, Bao N, Twieg RJ, Mavrikakis M, Abbott NL. Design of Chemoresponsive Soft Matter Using Hydrogen-Bonded Liquid Crystals. Materials (Basel, Switzerland). 14. PMID 33668152 DOI: 10.3390/ma14051055   
2021 Chakraborty A, Schmahl S, Asmis KR. Isomer-Specific Vibrational Spectroscopy of Microhydrated Lithium Dichloride Anions: Spectral Fingerprint of Solvent-Shared Ion Pairs. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33783947 DOI: 10.1002/cphc.202100170   
2021 Mishra P, Fritz SM, Herbers S, Mebel AM, Zwier TS. Gas-phase pyrolysis of 3-pentenenitrile: competition between direct and isomerization-mediated dissociation. Physical Chemistry Chemical Physics : Pccp. PMID 33729262 DOI: 10.1039/d1cp00104c   
2021 Rozanska X, Wimmer E, de Meyer F. Quantitative Kinetic Model of CO Absorption in Aqueous Tertiary Amine Solvents. Journal of Chemical Information and Modeling. PMID 33709702 DOI: 10.1021/acs.jcim.0c01386   
2021 Geindre H, Allouche AR, Peláez D. Non long-range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons. Journal of Computational Chemistry. PMID 33760242 DOI: 10.1002/jcc.26520   
2021 Greenberg J, Schmid PC, Thorpe JH, Nguyen TL, Catani KJ, Krohn OA, Miller MI, Stanton JF, Lewandowski HJ. Using isotopologues to probe the potential energy surface of reactions of CH+CH. The Journal of Chemical Physics. 154: 124310. PMID 33810655 DOI: 10.1063/5.0046438   
2021 Visbal H, Omura T, Nagashima K, Itoh T, Ohwaki T, Imai H, Ishigaki T, Maeno A, Suzuki K, Kaji H, Hirao K. Exploring the capability of mayenite (12CaO·7AlO) as hydrogen storage material. Scientific Reports. 11: 6278. PMID 33737552 DOI: 10.1038/s41598-021-85540-8   
2021 Pirisi K, Nag L, Fekete Z, Iuliano JN, Tolentino Collado J, Clark IP, Pécsi I, Sournia P, Liebl U, Greetham GM, Tonge PJ, Meech SR, Vos MH, Lukacs A. Identification of the vibrational marker of tyrosine cation radical using ultrafast transient infrared spectroscopy of flavoprotein systems. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 33721272 DOI: 10.1007/s43630-021-00024-y   
2021 Saito K, Sugiura Y, Miyazaki T, Takahashi Y, Takayanagi T. Quantum calculations of the photoelectron spectra of the OH·NH anion: implications for OH + NH → HO + NH reaction dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 33729225 DOI: 10.1039/d0cp06514e   
2021 Ocola EJ, Laane J. Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 2-Cyclopenten-1-ol. Molecules (Basel, Switzerland). 26. PMID 33669788 DOI: 10.3390/molecules26041106   
2021 Zhao G, Shi W, Yang Y, Ding Y, Li Y. Substituent Effects on Excited-State Intramolecular Proton Transfer Reaction of 2-Aryloxazoline Derivatives. The Journal of Physical Chemistry. A. PMID 33780249 DOI: 10.1021/acs.jpca.0c10799   
2021 Ali MA, Rahman MS, Roy R, Gambill P, Raynie DE, Halim MA. Structure Elucidation of Menthol-Based Deep Eutectic Solvent using Experimental and Computational Techniques. The Journal of Physical Chemistry. A. PMID 33754725 DOI: 10.1021/acs.jpca.0c10735   
2021 Shi M, Liu J, Wei Y. Direct activation of remote sp3 C-H bond enabled by visible - light photosensitized allene moiety. Angewandte Chemie (International Ed. in English). PMID 33719146 DOI: 10.1002/anie.202101266   
2021 Gutiérrez-Quintanilla A, Platakyte R, Chevalier M, Crépin C, Ceponkus J. Hidden Isomer of Trifluoroacetylacetone Revealed by Matrix Isolation Infrared and Raman Spectroscopy. The Journal of Physical Chemistry. A. PMID 33705131 DOI: 10.1021/acs.jpca.0c10945   
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 Diévart P, Catoire L. Theoretical Reassessment and Model Validation of Some Kinetic Parameters Relevant to Si/Cl/H Systems. The Journal of Physical Chemistry. A. PMID 33750124 DOI: 10.1021/acs.jpca.0c11272   
2021 Kim JG, Choi EH, Lee Y, Ihee H. Femtosecond X-ray Liquidography Visualizes Wavepacket Trajectories in Multidimensional Nuclear Coordinates for a Bimolecular Reaction. Accounts of Chemical Research. PMID 33733724 DOI: 10.1021/acs.accounts.0c00812   
2021 Bop CT, Quintas-Sánchez E, Sur S, Robin M, Lique F, Dawes R. Inelastic scattering in isotopologues of O-Ar: the effects of mass, symmetry, and density of states. Physical Chemistry Chemical Physics : Pccp. PMID 33666616 DOI: 10.1039/d1cp00326g   
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 Wang E, Ren X, Dorn A. Role of the Environment in Quenching the Production of H_{3}^{+} from Dicationic Clusters of Methanol. Physical Review Letters. 126: 103402. PMID 33784146 DOI: 10.1103/PhysRevLett.126.103402   
2021 Wang E, Ren X, Dorn A. Role of the Environment in Quenching the Production of H_{3}^{+} from Dicationic Clusters of Methanol. Physical Review Letters. 126: 103402. PMID 33784146 DOI: 10.1103/PhysRevLett.126.103402   
2021 McGuire BA, Loomis RA, Burkhardt AM, Lee KLK, Shingledecker CN, Charnley SB, Cooke IR, Cordiner MA, Herbst E, Kalenskii S, Siebert MA, Willis ER, Xue C, Remijan AJ, McCarthy MC. Detection of two interstellar polycyclic aromatic hydrocarbons via spectral matched filtering. Science (New York, N.Y.). 371: 1265-1269. PMID 33737489 DOI: 10.1126/science.abb7535   
2021 McCarthy MC, McGuire BA. Aromatics and Cyclic Molecules in Molecular Clouds: A New Dimension of Interstellar Organic Chemistry. The Journal of Physical Chemistry. A. PMID 33749264 DOI: 10.1021/acs.jpca.1c00129   
2021 Holtomo O, Nsangou M, Motapon O. Temperature-dependent oxidation of BSCAPE molecule in methanol medium. Journal of Molecular Graphics & Modelling. 105: 107850. PMID 33592351 DOI: 10.1016/j.jmgm.2021.107850   
2021 Du M, Campos-Gonzalez-Angulo JA, Yuen-Zhou J. Nonequilibrium effects of cavity leakage and vibrational dissipation in thermally activated polariton chemistry. The Journal of Chemical Physics. 154: 084108. PMID 33639750 DOI: 10.1063/5.0037905   
2021 Wong NGK, Rankine CD, Dessent CEH. Linking Electronic Relaxation Dynamics and Ionic Photofragmentation Patterns for the Deprotonated UV Filter Benzophenone-4. The Journal of Physical Chemistry Letters. 2831-2836. PMID 33719458 DOI: 10.1021/acs.jpclett.1c00423   
2021 Stuyver T, Shaik S. Promotion Energy Analysis Predicts Reaction Modes: Nucleophilic and Electrophilic Aromatic Substitution Reactions. Journal of the American Chemical Society. PMID 33689334 DOI: 10.1021/jacs.1c00307   
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 Haakansson CT, Corkish TR, Watson PD, Robinson HT, Tsui T, McKinley AJ, Wild DA. Spectroscopic Investigation of Chalcogen Bonding: Halide - Carbon Disulfide Complexes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33704887 DOI: 10.1002/cphc.202100148   
2021 Krumbein L, Anggara K, Stella M, Michnowicz T, Ochner H, Abb S, Rinke G, Portz A, Dürr M, Schlickum U, Baldwin A, Floris A, Kern K, Rauschenbach S. Fast Molecular Compression by a Hyperthermal Collision Gives Bond-Selective Mechanochemistry. Physical Review Letters. 126: 056001. PMID 33605738 DOI: 10.1103/PhysRevLett.126.056001   
2021 Lin J, Peng D, Wang Q, Li J, Zhu H, Wang X. Stable nitrogen-rich scandium nitrides and their bonding features under ambient conditions. Physical Chemistry Chemical Physics : Pccp. PMID 33725057 DOI: 10.1039/d0cp05402j   
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 Zou B, Xue J, Zhao Y, Zheng X. Effect of the weak intermolecular C-H···O=C hydrogen bonding, solvent polarity and concentration on the frequency of the C=O stretch mode of 2-thiophenecarboxaldehyde. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 255: 119651. PMID 33765534 DOI: 10.1016/j.saa.2021.119651   
2021 Johnson CA, Parker AW, Donaldson PM, Garrett-Roe S. An ultrafast vibrational study of dynamical heterogeneity in the protic ionic liquid ethyl-ammonium nitrate. I. Room temperature dynamics. The Journal of Chemical Physics. 154: 134502. PMID 33832238 DOI: 10.1063/5.0044822   
2021 Tan JA, Kuo JL. Fermi resonance switching in KrHRg and XeHRg (Rg = Ne, Ar, Kr, and Xe). The Journal of Chemical Physics. 154: 134302. PMID 33832263 DOI: 10.1063/5.0044703   
2021 Goletto L, Giovannini T, Folkestad SD, Koch H. Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions. Physical Chemistry Chemical Physics : Pccp. 23: 4413-4425. PMID 33594397 DOI: 10.1039/d0cp06359b   
2021 Vos E, Corral I, Montero-Campillo MM, Mó O, Elguero J, Alkorta I, Yáñez M. Spontaneous bond dissociation cascades induced by Be clusters ( = 2,4). Physical Chemistry Chemical Physics : Pccp. PMID 33720220 DOI: 10.1039/d0cp06009g   
2021 Kerbadou RM, Hadjadj Aoul R, Benmaati A, Taleb A, Hacini S, Habib Zahmani H. Identification of new biologically active synthetic molecules: comparative experimental and theoretical studies on the structure-antioxidant activity relationship of cyclic 1,3-ketoamides. Journal of Molecular Modeling. 27: 109. PMID 33742261 DOI: 10.1007/s00894-021-04705-4   
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 Li W, Spada L, Evangelisti L, Caminati W. Rotational studies of adducts between carboxylic acids and tertiary alcohols: Formic acid - tert-butyl alcohol. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 254: 119621. PMID 33743306 DOI: 10.1016/j.saa.2021.119621   
2021 Duran AT, Powis I, Holland DMP, Nicolas C, Bozek J, Trofimov AB, Grigoricheva EK, Skitnevskaya AD. Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19-90 eV photon energy. The Journal of Chemical Physics. 154: 094303. PMID 33685139 DOI: 10.1063/5.0040049   
2021 Bernhardt B, Ruth M, Eckhardt AK, Schreiner PR. Ethynylhydroxycarbene (H-C≡C-C̈-OH). Journal of the American Chemical Society. 143: 3741-3746. PMID 33667077 DOI: 10.1021/jacs.1c00897   
2021 Song M, Zhou H, Wang G, Ma B, Jiang Y, Yang J, Huo C, Wang XC. Visible-Light-Promoted Diboron-Mediated Transfer Hydrogenation of Azobenzenes to Hydrazobenzenes. The Journal of Organic Chemistry. PMID 33688729 DOI: 10.1021/acs.joc.1c00394   
2021 Pao D, Thumanu K, Yongsawatdigul J. Gelation and vibrational spectroscopy of tropical surimi induced by ascorbic acid and hydrogen peroxide. Journal of Food Science. PMID 33598951 DOI: 10.1111/1750-3841.15638   
2021 Zhang YP, Teng Q, Yang YS, Cao JQ, Xue JJ. Aggregation-induced Emission Properties of Triphenylamine Chalcone Compounds. Journal of Fluorescence. PMID 33725275 DOI: 10.1007/s10895-021-02711-6   
2021 Chow R, Mok DKW, Lee EPF, Dyke JM. Comment on "Impact of water on the BrO + HO gas-phase reaction: mechanism, kinetics and products" by N. T. Tsona, S. Tang and L. Du, , 2019, , 20296. Physical Chemistry Chemical Physics : Pccp. 23: 6309-6315. PMID 33735337 DOI: 10.1039/d0cp00222d   
2021 Alvi S, Singleton DA. Energy Read-out as a Probe of Kinetically Hidden Transition States. Organic Letters. 23: 2174-2177. PMID 33650871 DOI: 10.1021/acs.orglett.1c00324   
2021 Uslu O, Dikmen G, Orhan EO. Intrinsic physicochemical interactions of calcium hydroxide-based medications. Microscopy Research and Technique. 84: 432-440. PMID 32959430 DOI: 10.1002/jemt.23600   
2021 Moritsugu K, Yamamoto N, Yonezawa Y, Tate SI, Fujisaki H. Path Ensembles for Pin1-Catalyzed Cis-Trans Isomerization of a Substrate Calculated by Weighted Ensemble Simulations. Journal of Chemical Theory and Computation. PMID 33769826 DOI: 10.1021/acs.jctc.0c01280