Yirong Mo - Related publications

Affiliations: 
Western Michigan University, Kalamazoo, MI, United States 
Area:
Physical Chemistry, Biochemistry
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
Year Citation  Score
2020 Zurita J, Rodriguez V, Zambrano C, Mora JR, Rincón L, Torres FJ. Theoretical Description of R-X⋯NH Halogen Bond Complexes: Effect of the R Group on the Complex Stability and Sigma-Hole Electron Depletion. Molecules (Basel, Switzerland). 25. PMID 31991810 DOI: 10.3390/molecules25030530   
2020 Wu J, Rouf AM, Huang Y, Zhuang D, Zhu J. Theoretical study on the stability and aromaticity in silapentafulvenes towards triplet ground state species. Physical Chemistry Chemical Physics : Pccp. PMID 32057041 DOI: 10.1039/c9cp06506g   
2020 Anderson ME, Braïda B, Hiberty PC, Cundari TR. Revealing a Decisive Role for Secondary Coordination Sphere Nucleophiles on Methane Activation. Journal of the American Chemical Society. PMID 31951407 DOI: 10.1021/jacs.9b12644   
2020 Medved' M, Iglesias-Reguant A, Reis H, Góra RW, Luis JM, Zaleśny R. Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems. Physical Chemistry Chemical Physics : Pccp. 22: 4225-4234. PMID 32043097 DOI: 10.1039/c9cp06620a   
2020 Saeed A, Altarawneh M, Siddique K, Conesa JA, Ortuño N, Dlugogorski BZ. Photodecomposition properties of brominated flame retardants (BFRs). Ecotoxicology and Environmental Safety. 192: 110272. PMID 32061989 DOI: 10.1016/j.ecoenv.2020.110272   
2020 Woller T, Banerjee A, Sylvetsky N, Santra G, Deraet X, De Proft F, Martin JML, Alonso M. Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems. The Journal of Physical Chemistry. A. PMID 32093467 DOI: 10.1021/acs.jpca.9b10880   
2020 Klein J, Khartabil H, Boisson JC, Contreras-Garcia J, Piquemal JP, Henon E. A New Way for Probing Bond Strength. The Journal of Physical Chemistry. A. PMID 32039597 DOI: 10.1021/acs.jpca.9b09845   
2020 Zhao X, Huang W, Song D, Lin R, Huang H, Huang J, Wu B, Huang Y, Ye G. The hydrogen transfer reaction between the substance of triplet state thioxanthone and alkane with sp hybridization hydrogen. Journal of Molecular Modeling. 26: 56. PMID 32048049 DOI: 10.1007/s00894-020-4300-4   
2020 Wang R, Liu H, Li Q, Scheiner S. Xechalcogen aerogen bond. Effect of substituents and size of chalcogen atom. Physical Chemistry Chemical Physics : Pccp. PMID 32031551 DOI: 10.1039/c9cp06648a   
2020 Arslancan S, Herrera B, Lamsabhi AM. On the nature of the interaction of copper hydride and halide with substituted ethylene and acetylene. Journal of Molecular Modeling. 26: 61. PMID 32088811 DOI: 10.1007/s00894-020-4320-0   
2020 Chen J, Chan B, Shao Y, Ho J. How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters? Physical Chemistry Chemical Physics : Pccp. PMID 32022044 DOI: 10.1039/c9cp06792b   
2020 Margiotta E, van der Lubbe SCC, de Azevedo Santos L, Paragi G, Moro S, Bickelhaupt FM, Fonseca Guerra C. Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design. Journal of Chemical Information and Modeling. PMID 32003997 DOI: 10.1021/acs.jcim.9b00946   
2020 Fischer KC, Sherman SL, Garand E. Competition Between Solvation and Intramolecular Hydrogen-Bonding in Microsolvated Protonated Glycine and β-Alanine. The Journal of Physical Chemistry. A. PMID 32030984 DOI: 10.1021/acs.jpca.9b11977   
2020 Hernández B, Pflüger F, Ghomi M. Aspartate: An interesting model for analyzing dipole-ion and ion pair interactions through its oppositely charged amine and acid groups. Journal of Computational Chemistry. PMID 32109325 DOI: 10.1002/jcc.26184   
2020 Huang L, Ji T, Rueping M. Remote Nickel-Catalyzed Cross-Coupling Arylation via Proton-Coupled Electron Transfer-Enabled C-C Bond Cleavage. Journal of the American Chemical Society. PMID 32017543 DOI: 10.1021/jacs.9b12490   
2020 Kameo H, Baba Y, Sakaki S, Tanaka Y, Matsuzaka H. Experimental and Theoretical Investigation of an S2-type Pathway for Borate-Fluorine Bond Cleavage by Electron-Rich Late-Transition Metal Complexes. Inorganic Chemistry. PMID 32049496 DOI: 10.1021/acs.inorgchem.9b03053   
2020 Kundu S, Schaible MJ, McKee AD, Orlando TM. Direct Damage of Deoxyadenosine Monophosphate by Low Energy Electrons Probed by X-Ray Photoelectron Spectroscopy. The Journal of Physical Chemistry. B. PMID 32043891 DOI: 10.1021/acs.jpcb.9b08971   
2020 Hirao K, Chan B, Song JW, Bhattarai K, Tewary S. Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals. Journal of Computational Chemistry. PMID 32108955 DOI: 10.1002/jcc.26181   
2020 Li B, Wu Y, Li N, Chen X, Zeng X, Arramel, Zhao X, Jiang J. Single-Metal Atoms Supported on MBenes for Robust Electrochemical Hydrogen Evolution. Acs Applied Materials & Interfaces. PMID 32064860 DOI: 10.1021/acsami.9b20552   
2020 Cao K, Skowron ST, Biskupek J, Stoppiello CT, Leist C, Besley E, Khlobystov AN, Kaiser U. Imaging an unsupported metal-metal bond in dirhenium molecules at the atomic scale. Science Advances. 6: eaay5849. PMID 32010771 DOI: 10.1126/sciadv.aay5849   
2020 Nieman R, Aquino AJA, Lischka H. Benchmark ab initio calculations on intermolecular structures and the exciton character of poly(p-phenylenevinylene) dimers. The Journal of Chemical Physics. 152: 044306. PMID 32007063 DOI: 10.1063/1.5139411   
2020 Partovi-Azar P, Sebastiani D. Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state. The Journal of Chemical Physics. 152: 064101. PMID 32061215 DOI: 10.1063/1.5140262   
2020 Luo W, Yang JD, Cheng JP. Toward Rational Understandings of α-C-H Functionalization: Energetic Studies of Representative Tertiary Amines. Iscience. 23: 100851. PMID 32058963 DOI: 10.1016/j.isci.2020.100851   
2020 Zhang Y, Li L, Tretiak S, Nelson TR. Non-Adiabatic Excited-State Molecular Dynamics for Open-Shell Systems. Journal of Chemical Theory and Computation. PMID 32119549 DOI: 10.1021/acs.jctc.9b00928   
2020 Xu LT, Cooper DL, Dunning TH. Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzene. Journal of Computational Chemistry. PMID 32124992 DOI: 10.1002/jcc.26185   
2020 Metcalf DP, Koutsoukas A, Spronk SA, Claus BL, Loughney DA, Johnson SR, Cheney DL, Sherrill CD. Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory. The Journal of Chemical Physics. 152: 074103. PMID 32087645 DOI: 10.1063/1.5142636   
2020 Gould T, Liberles BT, Perdew JP. What do we learn from the classical turning surface of the Kohn-Sham potential as electron number is varied continuously? The Journal of Chemical Physics. 152: 054105. PMID 32035475 DOI: 10.1063/1.5130693   
2020 Wakchaure PD, Ganguly B. Probing the bent bonds in cyclopropane systems for gas storage and separation process: A computational study. Journal of Computational Chemistry. PMID 32064637 DOI: 10.1002/jcc.26174   
2020 Stevens JS, Coultas S, Jaye C, Fischer DA, Schroeder SLM. Core level spectroscopies locate hydrogen in the proton transfer pathway - identifying quasi-symmetrical hydrogen bonds in the solid state. Physical Chemistry Chemical Physics : Pccp. PMID 32073005 DOI: 10.1039/c9cp05677g   
2020 Chen N, Gao HX, He Q, Yu ZL, Zeng WC. Interaction and action mechanism of starch with different phenolic compounds. International Journal of Food Sciences and Nutrition. 1-12. PMID 32009476 DOI: 10.1080/09637486.2020.1722074   
2020 Annaberdiyev A, Melton CA, Bennett MC, Wang G, Mitas L. Accurate atomic correlation and total energies for correlation consistent effective core potentials. Journal of Chemical Theory and Computation. PMID 32027496 DOI: 10.1021/acs.jctc.9b00962   
2020 Lesiuk M. A straightforward a posteriori method for reduction of density-fitting error in coupled-cluster calculations. The Journal of Chemical Physics. 152: 044104. PMID 32007079 DOI: 10.1063/1.5129883   
2020 Shi H, Lu Y, Weng J, Bay KL, Chen X, Tanaka K, Verma P, Houk KN, Yu JQ. Differentiation and functionalization of remote C-H bonds in adjacent positions. Nature Chemistry. PMID 32123338 DOI: 10.1038/s41557-020-0424-5   
2020 Wu F, Ariyarathna JP, Kaur N, Alom NE, Kennell ML, Bassiouni OH, Li W. Halogen-Bond-Induced Consecutive C-H Aminations via Hydrogen Atom Transfer Relay Strategy. Organic Letters. PMID 32109065 DOI: 10.1021/acs.orglett.0c00081   
2020 Kanao E, Kubo T, Naito T, Sano T, Yan M, Tanaka N, Otsuka K. Tunable liquid chromatographic separation of H/D isotopologues enabled by aromatic π interactions. Analytical Chemistry. PMID 32030980 DOI: 10.1021/acs.analchem.9b05672   
2020 Knochenmuss R, Sinha RK, Leutwyler S. Benchmark Experimental Gas-Phase Intermolecular Dissociation Energies by the SEP-R2PI Method. Annual Review of Physical Chemistry. PMID 32070214 DOI: 10.1146/annurev-physchem-050317-014224   
2020 Graham DS, Wen X, Chulhai DV, Goodpaster JD. Robust, accurate, and efficient: quantum embedding using the Huzinaga level-shift projection operator for complex systems. Journal of Chemical Theory and Computation. PMID 32105469 DOI: 10.1021/acs.jctc.9b01185   
2020 Neeman EM, Leon I, Alonso ER, Mata S, Alonso JL. Gas-phase conformational map of the amino acid Isovaline. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32012435 DOI: 10.1002/cphc.201901201   
2020 Matyushov DV. Electron transfer in nonpolar media. Physical Chemistry Chemical Physics : Pccp. PMID 31934688 DOI: 10.1039/c9cp06166e   
2020 Viglaska-Aflalo D, Rey M, Nikitin A, Delahaye T. A global view of isotopic effects on ro-vibrational spectra of six-atomic molecules: a case study of eleven ethylene species. Physical Chemistry Chemical Physics : Pccp. PMID 31974534 DOI: 10.1039/c9cp06383h   
2020 Dobulis MA, Thompson MC, Patros KM, Sommerfeld T, Jarrold CC. Emerging Non-Valence Anion States of [Isoprene-H·]·HO Accessed via Detachment of OH·Isoprene. The Journal of Physical Chemistry. A. PMID 32091900 DOI: 10.1021/acs.jpca.0c01250   
2020 Zhou M, Li WL, Zhang Q, Chen M, Hu HS, Li J. Formation and Characterization of a BeOBeC Multiple Radical Featuring a Quartet Carbyne Moiety. Angewandte Chemie (International Ed. in English). PMID 32017342 DOI: 10.1002/anie.202000910   
2020 Zhou M, Li WL, Zhang Q, Chen M, Hu HS, Li J. Formation and Characterization of a BeOBeC Multiple Radical Featuring a Quartet Carbyne Moiety. Angewandte Chemie (International Ed. in English). PMID 32017342 DOI: 10.1002/anie.202000910   
2020 Zhang L, Truhlar DG, Sun S. Association of Cl with CH by unified variable-reaction-coordinate and reaction-path variational transition-state theory. Proceedings of the National Academy of Sciences of the United States of America. PMID 32123079 DOI: 10.1073/pnas.1920018117   
2020 Gao Y, Li X, You X. Reaction kinetics of hydrogen addition reactions to methyl butenoate. Physical Chemistry Chemical Physics : Pccp. PMID 32096509 DOI: 10.1039/c9cp06570a   
2020 Foglia NO, González Lebrero MC, Biekofsky RR, Estrin DA. Reaction Path Analysis from Potential Energy Contributions Using Forces: An Accessible Estimator of Reaction Coordinate Adequacy. Journal of Chemical Theory and Computation. PMID 31999449 DOI: 10.1021/acs.jctc.9b01081   
2020 Ríos-Gutiérrez M, Domingo LR, Esseffar M, Oubella A, Ait Itto MY. Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Density Theory. Molecules (Basel, Switzerland). 25. PMID 32121114 DOI: 10.3390/molecules25051085   
2020 Sun X, Kong C, Zhang H. Sensing mechanism of a fluorescent probe for thiophenols: Invalidity of excited-state intramolecular proton transfer mechanism. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 231: 118129. PMID 32058919 DOI: 10.1016/j.saa.2020.118129   
2020 Fouda AAE, Besley NA. Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic molecules. Journal of Computational Chemistry. PMID 31965597 DOI: 10.1002/jcc.26153   
2020 Su NQ, Mahler A, Yang W. Preserving Symmetry and Degeneracy in the Localized Orbital Scaling Correction Approach. The Journal of Physical Chemistry Letters. PMID 32004430 DOI: 10.1021/acs.jpclett.9b03888