John C. Polanyi - Related publications

University of Toronto, Toronto, ON, Canada 
Physical chemistry, chemical kinetics
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21 most relevant papers in past 60 days:
Year Citation  Score
2022 Qian J, Crumlin EJ, Prendergast D. Efficient basis sets for core-excited states motivated by Slater's rules. Physical Chemistry Chemical Physics : Pccp. PMID 35014633 DOI: 10.1039/d1cp03931h   
2022 Chan YC, Kortyna A, Nesbitt DJ. High-resolution infrared spectroscopy of supersonically cooled singlet carbenes: Bromomethylene (HCBr) in the CH stretch region. The Journal of Chemical Physics. 156: 014304. PMID 34998358 DOI: 10.1063/5.0077341   
2022 Hansen AS, Bhagde T, Qian Y, Cavazos A, Huchmala RM, Boyer MA, Gavin-Hanner CF, Klippenstein SJ, McCoy AB, Lester MI. Infrared spectroscopic signature of a hydroperoxyalkyl radical (•QOOH). The Journal of Chemical Physics. 156: 014301. PMID 34998315 DOI: 10.1063/5.0076505   
2022 Wang Y, Li X, Sun X. The transformation mechanism and eco-toxicity evaluation of butylated hydroxyanisole in environment. Ecotoxicology and Environmental Safety. 231: 113179. PMID 35026586 DOI: 10.1016/j.ecoenv.2022.113179   
2022 Wang F, Ji X, Ying F, Zhang J, Zhao C, Xie J. Computational Studies of Coinage Metal Anion M + CHX (X = F, Cl, Br, I) Reactions in Gas Phase. Molecules (Basel, Switzerland). 27. PMID 35011542 DOI: 10.3390/molecules27010307   
2022 Lozada IB, Ortiz RJ, Braun JD, Williams JAG, Herbert DE. Donor-Acceptor Boron-Ketoiminate Complexes with Pendent -Heterocyclic Arms: Switched-on Luminescence through -Heterocycle Methylation. The Journal of Organic Chemistry. 87: 184-196. PMID 34936362 DOI: 10.1021/acs.joc.1c02138   
2022 Song C, Liu Q, Chen W, Chen X, Jin R, Du Q, Xie Y, King RB. Carbon-hydrogen bond activation in bridging cyclobutadiene ligands in unsaturated binuclear vanadium carbonyl derivatives. Journal of Molecular Modeling. 28: 39. PMID 35050433 DOI: 10.1007/s00894-021-05009-3   
2022 Benitez Y, Nguyen TL, Parsons AJ, Stanton JF, Continetti RE. Probing the Exit Channel of the OH + CHOH → HO + CHO Reaction by Photodetachment of CHO(HO). The Journal of Physical Chemistry Letters. 13: 142-148. PMID 34962408 DOI: 10.1021/acs.jpclett.1c03568   
2022 Haupa KA, Krappel NP, Strelnikov D, Kappes MM. Vibrationally Resolved Absorption and Luminescence Spectra of Mass-Selected Free-Base and Zinc Phthalocyanine Radical Cations Isolated in Solid Ne. The Journal of Physical Chemistry. A. PMID 35044185 DOI: 10.1021/acs.jpca.1c09916   
2022 Martinez ZM, Folsom TM, Tong Y, Archambeau AK, Darensbourg DJ, Hall MB, Powell CB, Powell GL. Kinetic and Computational Analysis of CO Substitution in a Dinuclear Osmium Carbonyl Complex: Intersection between Dissociative and Dissociative-Interchange Mechanisms. Inorganic Chemistry. 61: 246-253. PMID 34936352 DOI: 10.1021/acs.inorgchem.1c02797   
2022 Sillaste S, Thompson RB. Molecular Bonding in an Orbital-Free-Related Density Functional Theory. The Journal of Physical Chemistry. A. PMID 34994568 DOI: 10.1021/acs.jpca.1c07128   
2022 Yuan DF, Zhang YR, Qian CH, Wang LS. Resonant two-photon photoelectron imaging and adiabatic detachment processes from bound vibrational levels of dipole-bound states. Physical Chemistry Chemical Physics : Pccp. 24: 1380-1389. PMID 34981094 DOI: 10.1039/d1cp05219e   
2022 Liu Q, Huang W, Liu B, Wang PC, Chen HB. Experimental and Theoretical Study of Gamma Radiolysis and Dose Rate Effect of -Cresol Formaldehyde Epoxy Composites. Acs Applied Materials & Interfaces. PMID 35049269 DOI: 10.1021/acsami.1c19609   
2022 Xiang H, Tian L, Li Y, Song H. Energy- and Local-Gradient-Based Neural Network Method for Accurately Describing Long-Range Interaction: Application to the H + CO Reaction. The Journal of Physical Chemistry. A. PMID 34989591 DOI: 10.1021/acs.jpca.1c09719   
2022 Aliyarova IS, Tupikina EY, Ivanov DM, Kukushkin VY. Metal-Involving Halogen Bonding Including Gold(I) as a Nucleophilic Partner. The Case of Isomorphic Dichloroaurate(I)·Halomethane Cocrystals. Inorganic Chemistry. PMID 35073483 DOI: 10.1021/acs.inorgchem.1c03482   
2022 Poland KN, Westbrook BR, Magers DH, Fortenberry RC, Davis SR. Benzvalyne: Real or imaginary? The Journal of Chemical Physics. 156: 024302. PMID 35032974 DOI: 10.1063/5.0077033   
2022 Zhao W, Niu H, Yang Y, Lv H, Lv J, Cai Y. One-pot molten salt method for constructing CdS/CN nanojunctions with highly enhanced photocatalytic performance for hydrogen evolution reaction. Journal of Environmental Sciences (China). 112: 244-257. PMID 34955208 DOI: 10.1016/j.jes.2021.05.019   
2022 Lu W, Hao K, Liu S, Lv J, Zhou M, Gao P. Pressure-Stabilized High-Energy-Density Material YN10. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34991087 DOI: 10.1088/1361-648X/ac48c0   
2022 Song J, Sun G, Zeng X, Li X, Bai Q, Zheng X. Piezoelectric energy harvester with double cantilever beam undergoing coupled bending-torsion vibrations by width-splitting method. Scientific Reports. 12: 583. PMID 35022473 DOI: 10.1038/s41598-021-04476-1   
2022 Wang X, Gao S, Chen J, Du W, Cheng W, Xu X, Gou Q. Rotational Spectra of 2-Ethynylpyridine and Its Monohydrate: Influence of the -Substitution on Ring Geometry and Intermolecular Hydrogen Bonds. The Journal of Physical Chemistry. A. PMID 35050614 DOI: 10.1021/acs.jpca.1c10013   
2022 Ma Z, Hada M, Nakatani N. Mechanistic insights into the selectivity of norcarane oxidation by oxoMn(V) porphyrin complexes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34981629 DOI: 10.1002/cphc.202100810