| 3687 - 3697 |
Two-temperature Collisional-radiative Modeling of Partially Ionized O-2-Ar Mixtures over 8000-10,000 K Behind Reflected Shock Waves
Li Y, Wang SK, Strand CL, Hanson RK |
| 3698 - 3710 |
Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability
Ehrmaier J, Huang X, Rabe EJ, Corp KL, Schlenker CW, Sobolewski AL, Domcke W |
| 3711 - 3719 |
Mercury Magnetic Isotope Effect: A Plausible Photochemical Mechanism
Motta LC, Chien AD, Rask AE, Zimmerman PM |
| 3720 - 3729 |
Theoretical Study on the Reduction Mechanism of Np(VI) by Hydrazine Derivatives
Li XB, Wu QY, Wang CZ, Lan JH, Ning SY, Wei YZ, Chai ZF, Shi WQ |
| 3730 - 3737 |
Solvent Dependence of Cationic-Exciplex Emission: Limitation of Solvent Polarity Functions and the Role of Hydrogen Bonding
Dinnocenzo JP, Tingson J, Young RH, Farid S |
| 3738 - 3746 |
The Vagabond Fluorine Atom: Dissociative Photoionization of trans-1,3,3,3-Tetrafluoropropene
Ray AW, Weidner P, Bodi A, Sztaray B |
| 3747 - 3753 |
Ab Initio Kinetics of Methylamine Radical Thermal Decomposition and H-Abstraction from Monomethylhydrazine by H-Atom
Sun HY, Vaghjiani GL, Law CK |
| 3754 - 3760 |
Predicting Deprotonation Sites Using Alchemical Derivatives
Munoz M, Robles-Navarro A, Fuentealba P, Cardenas C |
| 3761 - 3769 |
Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe3+ as Active Catalytic Specie: A Computational Approach
Sanchez-Velandia JE, Mejia SM, Villa AL |
| 3770 - 3777 |
Reactivity Parameters and Substitution Effect in Organic Acids
Chakkamalayath J, Chandrakumar KRS, Ghosh SK |
| 3778 - 3785 |
Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF2, and ZnO/ZnF2: A DFT Investigation within PBE, PBE plus U, and Hybrid HSE Functionals
Flores EM, Moreira ML, Piotrowski MJ |
| 3786 - 3794 |
3-Nitrene-2-formylthiophene and 3-Nitrene-2-formylfuran: Matrix Isolation, Conformation, and Rearrangement Reactions
Liu J, Wu Z, Yang Y, Qian WY, Wang LN, Zeng XQ |
| 3795 - 3804 |
Computational Evidence for Homonuclear (GeGeI)-Ge-I Dative Bonds
Timm LK, Yu CH |
| 3805 - 3814 |
Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach
Shor AM, Ivanova-Shor EA, Chiorescu I, Kruger S, Rosch N |
| 3815 - 3824 |
Organocatalysis by Halogen, Chalcogen, and Pnictogen Bond Donors in Halide Abstraction Reactions: An Alternative to Hydrogen Bond-Based Catalysis
Li Y, Meng LP, Su CH, Zeng YL |
| 3825 - 3835 |
The Conformational Landscape, Internal Rotation, and Structure of 1,3,5-Trisilapentane using Broadband Rotational Spectroscopy and Quantum Chemical Calculations
Jabri A, Marshall FE, Tonks WRN, Brenner RE, Gillcrist DJ, Wurrey CJ, Kleiner I, Guirgis GA, Grubbs GS |
| 3836 - 3843 |
Isomer-Selective Threshold Photoelectron Spectra of Phenylnitrene and Its Thermal Rearrangement Products
Mendez-Vega E, Sander W, Hemberger P |
| 3844 - 3850 |
Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls
Yu HS, Wang Y, Wang XJ, Zhang JX, Ye S, Huang Y, Luo Y, Sharman E, Chen SL, Jiang J |
| 3851 - 3858 |
Approximating the Strength of the Intramolecular Hydrogen Bond in 2-Fluorophenol and Related Compounds: A New Application of a Classic Technique
Rosenberg RE, Chapman BK, Ferrill RN, Jung ES, Samaan CA |
| 3859 - 3864 |
Infrared Photodissociation Spectroscopy of Mass-Selected Cu2O2(CO)(n)(+) Clusters in the Gas Phase
Xin K, Chen YJ, Zhang LN, Wang XF, Wang GJ |
| 3865 - 3875 |
Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy
Burganov TI, Katsyuba SA, Islamova LN, Fazleeva GM, Sharipova SM, Kalinin AA, Dobrynin AB, Monari A, Assfeld X |
| 3876 - 3885 |
Conformers of Allyl Isothiocyanate: A Combined Microwave Spectroscopy and Computational Study
Stitsky J, Silva WGDP, Sun WH, van Wijngaarden J |
| 3886 - 3895 |
Heterogeneous Chemistry of CaCO3 Aerosols with HNO3 and HCl
Huynh H, McNeill FV |
| 3896 - 3903 |
Gas-to-Liquid Phase Transition of PAH at Flame Temperatures
Liu P, Li Y, Sarathy SM, Roberts WL |
| 3904 - 3914 |
Infrared Spectroscopic and Kinetic Characterization on the Photolysis of Nitrite in Alcohol-Containing Aqueous Solutions
Shill MC, Hsu YJ, Chu LK |
| 3915 - 3923 |
Connecting Femtosecond Transient Absorption Microscopy with Spatially Coregistered Time Averaged Optical Imaging Modalities
Doughty B, Simpson MJ, Das S, Xiao K, Ma YZ |
| 3924 - 3934 |
Acoustic Vibrations of Al Nanocrystals: Size, Shape, and Crystallinity Revealed by Single-Particle Transient Extinction Spectroscopy
Ostovar B, Su MN, Renard D, Clark BD, Dongare PD, Dutta C, Gross N, Sader JE, Landes CF, Chang WS, Halas NJ, Link S |
| 3935 - 3942 |
Tandem Catalysts for Polyethylene Upcycling: A Simple Kinetic Model
Guironnet D, Peters B |
| 3943 - 3946 |
An Exact Ewald Summation Method in Theory and Practice
Stenberg S, Stenqvist B |
| 3947 - 3962 |
A Multilayer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity
Haldar S, Dutta AK |
