| 1855 - 1860 |
Noise-Induced and Control of Collective Behavior in a Population of Coupled Chemical Oscillators
Munuzuri AP, Perez-Mercader J |
| 1861 - 1876 |
Hydroperoxide Measurements During Low-Temperature Gas-Phase Oxidation of n-Heptane and n-Decane
Rodriguez A, Herbinet O, Meng XZ, Fittschen C, Wang ZD, Xing LL, Zhang LD, Battin-Leclerc F |
| 1877 - 1889 |
Kinetics of Hydrogen Abstraction and Addition Reactions of 3-Hexene by OH Radicals
Yang FY, Deng FQ, Pan YS, Zhang YJ, Tang CL, Huang ZH |
| 1890 - 1899 |
Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by O-3(2); Implications for Combustion Modeling and Simulation
Zhou CW, Simmie JM, Somers KP, Goldsmith CF, Curran HJ |
| 1900 - 1908 |
Kinetic and Diffusion-Driven Instabilities in the Bromate-Sulfite-Ferrocyanide System
Molnar I, Szalai I |
| 1909 - 1915 |
First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO2
Cagnina S, Nicolle A, de Bruin T, Georgievskii Y, Klippenstein SJ |
| 1916 - 1923 |
Low-Temperature Experimental and Theoretical Rate Constants for the O(D-1) + H-2 Reaction
Hickson KM, Suleimanov YV |
| 1924 - 1931 |
Use of Spectroscopic Techniques for Evaluating the Coupling of Porphyrins on Biocompatible Nanoparticles. A Potential System for Photodynamics, Theranostics, and Nanodrug Delivery Applications
Magno LN, Bezerra FC, Freire LES, Guerra RA, Bakuzis AF, Goncalves PJ |
| 1932 - 1939 |
Can Excited State Electronic Coherence Be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) Dimers
Lingerfelt DB, Lestrange PJ, Radler JJ, Brown-Xu SE, Kim P, Castellano FN, Chen LX, Li XS |
| 1940 - 1949 |
Titanium Digermanium: Theoretical Assignment of Electronic Transitions Underlying Its Anion Photoelectron Spectrum
Pham LN, Nguyen MT |
| 1950 - 1961 |
Temperature Drift of Conformational Equilibria of Butyl Alcohols Studied by Near-Infrared Spectroscopy and Fully Anharmonic DFT
Grabska J, Bec KB, Ozaki Y, Huck CW |
| 1962 - 1975 |
Rewriting the Story of Excimer Formation in Liquid Benzene
Iyer ESS, Sadybekov A, Lioubashevski O, Krylov AI, Ruhman S |
| 1976 - 1984 |
Experimental and Theoretical Investigations on the Reaction of 1,3-Butadiene with CI Atom in the Gas Phase
Vijayakumar S, Rajakumar B |
| 1985 - 1992 |
Origin of the Regioselectivity in the Aldol Condensation between Hydroxymethylfurfural and Levulinic Acid: A DFT Investigation
Zhao LW, Elechi N, Qian R, Singhi- TB, Arnarasekara AS, Fan HJ |
| 1993 - 2000 |
Trends in Homolytic Bond Dissociation Energies of Five- and Six-Coordinate Hydrides of Group 9 Transition Metals: Co, Rh, Ir
Glezakou VA, Rousseau R, Elbert ST, Franz JA |
| 2001 - 2013 |
Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane
Larentzos JP, Rice BM |
| 2014 - 2021 |
Effect of C-alpha-C-beta Bond Type on the Radical Scavenging Activity of Hydroxy Stilbenes: Theoretical Insights in the Gas and Liquid Phase
Nenadis N, Stavra K |
| 2022 - 2034 |
Benchmarking Density Functionals for Chemical Bonds of Gold
Kepp KP |
| 2035 - 2045 |
Singularity Correction for Long-Range-Corrected Density Functional Theory with Plane-Wave Basis Sets
Kawashima Y, Hirao K |
| 2046 - 2055 |
Theoretical Investigations of the Reactions of N- and O-Containing Species on a C(100):H 2 x 1 Reconstructed Diamond Surface
Kelly MW, Halliwell SC, Rodgers WJ, Pattle JD, Harvey JN, Ashfold MNR |
| 2056 - 2067 |
Multipole Moments in the Effective Fragment Potential Method
Bertoni C, Slipchenko LV, Misquitta AJ, Gordon MS |
