Doreen G. Leopold - Related publications

Affiliations: 
Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Physical Chemistry; Chemical Physics; Inorganic Chemistry; Experimental Physical Chemistry
Website:
http://www.chem.umn.edu/directory/faculty.lasso?serial=453
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50 most relevant papers in past 60 days:
Year Citation  Score
2019 Jayasundara N, Anunciado RB, Burgess E, Ashman S, Hüwel L. Ro-vibrational level dependence of the radiative lifetime of the Na4Σ shelf state. The Journal of Chemical Physics. 150: 064301. PMID 30769962 DOI: 10.1063/1.5053107   
2019 Salehi M, Koner D, Meuwly M. Vibrational Spectroscopy of N in the Gas- and Condensed-Phase. The Journal of Physical Chemistry. B. PMID 30830786 DOI: 10.1021/acs.jpcb.8b11430   
2019 Setzer WJ, de Magalhaes A, Morgan TJ. Spectrum of Field-Ionized Triplet Gerade Rydberg States of H and Comparison to Multichannel Quantum-Defect Theory. The Journal of Physical Chemistry. A. PMID 30943033 DOI: 10.1021/acs.jpca.9b01445   
2019 Hölsch N, Beyer M, Salumbides EJ, Eikema KSE, Ubachs W, Jungen C, Merkt F. Benchmarking Theory with an Improved Measurement of the Ionization and Dissociation Energies of H_{2}. Physical Review Letters. 122: 103002. PMID 30932670 DOI: 10.1103/PhysRevLett.122.103002   
2019 Kumar P, Kłos J, Poirier B, Alexander MH, Guo H. Accurate characterization of the lowest triplet potential energy surface of SO with a coupled cluster method. The Journal of Chemical Physics. 150: 144303. PMID 30981276 DOI: 10.1063/1.5088959   
2019 Xu S, Xia M, Yin Y, Gu R, Xia Y, Yin J. Determination of the normal AΠ state in MgF with application to direct laser cooling of molecules. The Journal of Chemical Physics. 150: 084302. PMID 30823751 DOI: 10.1063/1.5083898   
2019 Lopez Vidal M, Feng X, Epifanovsky E, Krylov AI, Coriani S. A new and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states. Journal of Chemical Theory and Computation. PMID 30964297 DOI: 10.1021/acs.jctc.9b00039   
2019 Young JD, Honick CR, Zhou J, Pitts CR, Ghorbani F, Peters GM, Lectka T, Tovar JD, Bragg AE. Energy- and conformer-dependent excited-state relaxation of an E/Z photoswitchable thienyl-ethene. Physical Chemistry Chemical Physics : Pccp. PMID 30920561 DOI: 10.1039/c9cp01226e   
2019 Zhou Z, Aitken RA, Cardinaud C, Slawin AMZ, Wang H, Daly AM, Palmer MH, Kukolich SG. Synthesis, microwave spectra, x-ray structure, and high-level theoretical calculations for formamidinium formate. The Journal of Chemical Physics. 150: 094305. PMID 30849873 DOI: 10.1063/1.5081683   
2019 Yun BS, Kim JH, Kim SY, Son HJ, Cho DW, Kang SO. Photophysical properties of structural isomers of homoleptic Ir-complexes derived from xylenyl-substituted N-heterocyclic carbene ligands. Physical Chemistry Chemical Physics : Pccp. PMID 30888003 DOI: 10.1039/c9cp00553f   
2019 Barber VP, Pandit S, Esposito VJ, McCoy AB, Lester MI. CH Stretch Activation of CHCHOO: Deep Tunneling to Hydroxyl Radical Products. The Journal of Physical Chemistry. A. PMID 30840823 DOI: 10.1021/acs.jpca.8b12324   
2019 Yang Z, Hrovat DA, Hou GL, Borden WT, Wang XB. Negative Ion Photoelectron Spectroscopy Confirms the Prediction of a Singlet Ground State for the 1,8-Naphthoquinone Diradical. The Journal of Physical Chemistry. A. PMID 30869889 DOI: 10.1021/acs.jpca.8b11063   
2019 Gunthardt CE, Wallace CJ, Hall GE, Field RW, North SW. Anomalous Intensities in the 2+1 REMPI Spectrum of the E Π - X Σ Transition of CO. The Journal of Physical Chemistry. A. PMID 30811199 DOI: 10.1021/acs.jpca.9b00109   
2019 Kang DW, Kim HL, Kwon CH. Conformational preference and cationic structure of 2-methylpyrazine by VUV-MATI spectroscopy and natural bond orbital analysis. Physical Chemistry Chemical Physics : Pccp. PMID 31012885 DOI: 10.1039/c9cp00766k   
2019 Liu C, Tkachenko NV, Popov IA, Fedik N, Min X, Xu CQ, Li J, McGrady JE, Boldyrev AI, Sun ZM. Structure and Bonding in [Sb@In8Sb12]3- and [Sb@In8Sb12]5. Angewandte Chemie (International Ed. in English). PMID 31013397 DOI: 10.1002/anie.201904109   
2019 Rabidoux SM, Cave RJ, Stanton JF. A Non-Adiabatic Investigation of the Electronic Spectroscopy of trans-1,3-Butadiene. The Journal of Physical Chemistry. A. PMID 30897900 DOI: 10.1021/acs.jpca.9b01021   
2019 Kobayashi Y, Zeng T, Neumark DM, Leone SR. investigation of Br-3 core-excited states in HBr and HBr toward XUV probing of photochemical dynamics. Structural Dynamics (Melville, N.Y.). 6: 014101. PMID 30868084 DOI: 10.1063/1.5085011   
2019 Chang YC, Xiong B, Xu Y, Ng CY. Quantum Spin-orbit Electronic State Selection of Atomic Transition Metal Vanadium Cation for Chemical Reactivity Studies. The Journal of Physical Chemistry. A. PMID 30817155 DOI: 10.1021/acs.jpca.9b00511   
2019 Haldrup K, Levi G, Biasin E, Vester P, Laursen MG, Beyer F, Kjær KS, Brandt van Driel T, Harlang T, Dohn AO, Hartsock RJ, Nelson S, Glownia JM, Lemke HT, Christensen M, et al. Ultrafast X-Ray Scattering Measurements of Coherent Structural Dynamics on the Ground-State Potential Energy Surface of a Diplatinum Molecule. Physical Review Letters. 122: 063001. PMID 30822093 DOI: 10.1103/PhysRevLett.122.063001   
2019 Liu YW, Peng YG, Xiong T, Wang SX, Huang XC, Wu Y, Zhu LF. Generalized oscillator strengths of the low-lying valence-shell excitations of N, O and CH studied by fast electron and inelastic x-ray scattering. The Journal of Chemical Physics. 150: 094302. PMID 30849870 DOI: 10.1063/1.5087603   
2019 Datko B, Livshits MY, Zhang Z, Qin Y, Jakubikova E, Rack JJ, Grey JK. Large Excited State Conformational Displacements Expedite Triplet Formation in a Small Conjugated Oligomer. The Journal of Physical Chemistry Letters. PMID 30811200 DOI: 10.1021/acs.jpclett.9b00495   
2019 Bhattacharjee R, Majumder T, Datta A. Analysis of pseudo jahn-teller distortion based on natural bond orbital theory: Case study for silicene. Journal of Computational Chemistry. PMID 30854679 DOI: 10.1002/jcc.25815   
2019 Loos PF, Jacquemin D. Chemically Accurate 0-0 Energies with not-so-Accurate Excited State Geometries. Journal of Chemical Theory and Computation. PMID 30802404 DOI: 10.1021/acs.jctc.8b01103   
2019 Xing W, Shi D, Sun J, Zhu Z. Radiative lifetimes of vibrational levels and transition probabilities of spontaneous emissions of the six lowest-lying triplet states of AlN radical. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 217: 77-85. PMID 30927574 DOI: 10.1016/j.saa.2019.03.045   
2019 Zhang J, Kosaka W, Kitagawa Y, Miyasaka H. Charge-State Variable Magnetic Sponge Behavior with a Key of Host-Guest Hydrogen Bonding. Angewandte Chemie (International Ed. in English). PMID 30941849 DOI: 10.1002/anie.201902301   
2019 Lim JS, You HS, Han S, Kim SK. Photodissociation Dynamics of ortho-Substituted Thiophenols at 243 nm. The Journal of Physical Chemistry. A. PMID 30852898 DOI: 10.1021/acs.jpca.9b00803   
2019 Aulin YV, Liu M, Piotrowiak P. Ultrafast Vibrational Cooling Inside a Molecular Container. The Journal of Physical Chemistry Letters. PMID 31018088 DOI: 10.1021/acs.jpclett.9b00406   
2019 Chattopadhyay SK. Ab Initio Probing of the Ground State of Tetraradicals: Inattention to the Strictest Form of Hund's Rule. The Journal of Physical Chemistry. A. PMID 30794415 DOI: 10.1021/acs.jpca.8b10514   
2019 Xie C, Malbon CL, Xie D, Yarkony DR, Guo H. Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 3A(3p ) Rydberg State: A Nine-Dimensional Quantum Study. The Journal of Physical Chemistry. A. PMID 30789267 DOI: 10.1021/acs.jpca.8b12184   
2019 Vaz da Cruz V, Gel'mukhanov F, Eckert S, Iannuzzi M, Ertan E, Pietzsch A, Couto RC, Niskanen J, Fondell M, Dantz M, Schmitt T, Lu X, McNally D, Jay RM, Kimberg V, et al. Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering. Nature Communications. 10: 1013. PMID 30833573 DOI: 10.1038/s41467-019-08979-4   
2019 Lesiuk M, Przybytek M, Balcerzak JG, Musial M, Moszynski R. Ab initio potential energy curve for the ground state of beryllium dimer. Journal of Chemical Theory and Computation. PMID 30821965 DOI: 10.1021/acs.jctc.8b00845   
2019 Wang J, Yu K, Yang Y, Hartland GV, Sader JE, Wang GP. Strong vibrational coupling in room temperature plasmonic resonators. Nature Communications. 10: 1527. PMID 30948721 DOI: 10.1038/s41467-019-09594-z   
2019 Ruddock JM, Zotev N, Stankus B, Yong H, Bellshaw D, Boutet S, Lane TJ, Liang M, Carbajo S, Du W, Kirrander A, Minitti MP, Weber PM. Simplicity beneath Complexity: Counting Molecular Electrons Reveals Transients and Kinetics of Photodissociation Reactions. Angewandte Chemie (International Ed. in English). PMID 30866169 DOI: 10.1002/anie.201902228   
2019 Huang J, Yang D, Zhou Y, Xie D. A new full-dimensional ab initio intermolecular potential energy surface and vibrational states for (HF) and (DF). The Journal of Chemical Physics. 150: 154302. PMID 31005125 DOI: 10.1063/1.5090225   
2019 Deustua JE, Yuwono SH, Shen J, Piecuch P. Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations. The Journal of Chemical Physics. 150: 111101. PMID 30902012 DOI: 10.1063/1.5090346   
2019 Kender WT, Turro C. Unusually Slow Internal Conversion in N-Heterocyclic Carbene/Carbanion Cyclometallated Ru(II) Complexes: A Hammett Relationship. The Journal of Physical Chemistry. A. PMID 30896168 DOI: 10.1021/acs.jpca.9b00858   
2019 Pawłowski F, Olsen J, Jørgensen P. Cluster perturbation theory. II. Excitation energies for a coupled cluster target state. The Journal of Chemical Physics. 150: 134109. PMID 30954037 DOI: 10.1063/1.5053167   
2019 Reza MA, Telfah H, Xu R, Liu J. Room-Temperature Cavity Ring-Down Spectroscopy of Methylallyl Peroxy Radicals. The Journal of Physical Chemistry. A. PMID 30939007 DOI: 10.1021/acs.jpca.9b01233   
2019 Lee KLK, McCarthy MC. A Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy. The Journal of Physical Chemistry Letters. PMID 31021635 DOI: 10.1021/acs.jpclett.9b00586   
2019 Baiardi A, Stein CJ, Barone V, Reiher M. Optimization of highly excited matrix product states with an application to vibrational spectroscopy. The Journal of Chemical Physics. 150: 094113. PMID 30849875 DOI: 10.1063/1.5068747   
2019 Chitsazi R, Wagner AF. Pressure effects on the vibrational and rotational relaxation of vibrationally excited OH (ν, J) in an argon bath. The Journal of Chemical Physics. 150: 114303. PMID 30902000 DOI: 10.1063/1.5063923   
2019 Yan W, Tan R, Lin SY. Quantum Dynamics Calculations of Na (3S, 3P) + HF → NaF + H Reactions. The Journal of Physical Chemistry. A. PMID 30860845 DOI: 10.1021/acs.jpca.9b00508   
2019 Peeks MD, Gong JQ, McLoughlin K, Kobatake T, Haver R, Herz LM, Anderson HL. Aromaticity and Antiaromaticity in the Excited States of Porphyrin Nanorings. The Journal of Physical Chemistry Letters. PMID 30951313 DOI: 10.1021/acs.jpclett.9b00623   
2019 McCarthy MC, Gottlieb CA, Cernicharo J. Building Blocks of Dust: A Coordinated Laboratory and Astronomical Study of AGB Stars. Journal of Molecular Spectroscopy. 356: 7-20. PMID 30956352   
2019 Thaler B, Meyer R, Ranftl S, Heim P, Pototschnig JV, Hauser AW, Koch M, Ernst WE. Conservation of Hot Thermal Spin-Orbit Population of P Atoms in a Cold Quantum Fluid Environment. The Journal of Physical Chemistry. A. PMID 30973728 DOI: 10.1021/acs.jpca.9b02920   
2019 Gillespie BR, Patel CA, Rothrock MM, Heard GL, Setser DW, Holmes BE. Experimental and Computational Studies of Unimolecular 1,1-HX (X = F, Cl) Elimination Reactions of CDCHFCl: The Role of Carbene:HF and HCl Adducts in the Exit Channel of RCHFCl and RCHCl Reactions. The Journal of Physical Chemistry. A. PMID 30841697 DOI: 10.1021/acs.jpca.9b00779   
2019 Lim JS, You HS, Kim SY, Kim SK. Experimental observation of nonadiabatic bifurcation dynamics at resonances in the continuum. Chemical Science. 10: 2404-2412. PMID 30881669 DOI: 10.1039/c8sc04859b   
2019 Pawłowski F, Olsen J, Jørgensen P. Cluster perturbation theory. V. Theoretical foundation for cluster linear target states. The Journal of Chemical Physics. 150: 134112. PMID 30954052 DOI: 10.1063/1.5053627   
2019 Shi B, Nachtigallová D, Aquino AJA, Machado FBC, Lischka H. Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dots. Physical Chemistry Chemical Physics : Pccp. PMID 30869712 DOI: 10.1039/c9cp00635d   
2019 Lv L, Yuan K, Zhu Y, Zuo G, Wang Y. Investigation of Conversion and Decay Processes in Thermally Activated Delayed Fluorescence Copper(I) Molecular Crystal: Theoretical Estimations from an ONIOM Approach Combined with the Tuned Range-Separated Density Functional Theory. The Journal of Physical Chemistry. A. PMID 30802052 DOI: 10.1021/acs.jpca.9b00321