| 9371 - 9391 |
Theoretical Descriptors of Electrides
Dale SG, Johnson ER |
| 9392 - 9402 |
Effect of Electron-Nuclear Hyperfine Interactions on Multiple-Quantum Coherences in Photogenerated Covalent Radical (Qubit) Pairs
Nelson JN, Zhang JY, Zhou JW, Rugg BK, Krzyaniak MD, Wasielewski MR |
| 9403 - 9411 |
NEXMD Modeling of Photoisomerization Dynamics of 4-Styrylquinoline
Sifain AE, Gifford BJ, Gao DW, Lystrom L, Nelson TR, Tretiak S |
| 9412 - 9425 |
Ultrafast Excited-State Dynamics of Hydrogen-Bonded Cytosine Microsolvated Clusters with Protic and Aprotic Polar Solvents
Wei SC, Ho JW, Yen HC, Shi HQ, Cheng LH, Weng CN, Chou WK, Chiu CC, Cheng PY |
| 9426 - 9434 |
Pressure Stabilization of Criegee Intermediates Formed from Symmetric trans-Alkene Ozonolysis
Hakala JP, Donahue NM |
| 9435 - 9445 |
Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism
Teodoro TQ, Koenis MAJ, Ruger R, Galembeck SE, Buma WJ, Nicu VP, Visscher L |
| 9446 - 9453 |
Competition of F/OH-Induced S(N)2 and Proton-Transfer Reactions with Increased Solvation
Liu X, Yang L, Zhang JX, Sun JM |
| 9454 - 9463 |
Fourier Transform Microwave Spectra of the Nitrogen Molecule-Ethylene Sulfide and Nitrogen Molecule-Dimethyl Sulfide Complexes
Kawashima Y, Iwano S, Hirota E |
| 9464 - 9473 |
Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods
Pinheiro M, Das A, Aquino AJA, Lischka H, Machado FBC |
| 9474 - 9482 |
Unique Surface Enhanced Raman Scattering Substrate for the Study of Arsenic Speciation and Detection
Xu SY, Sabino FP, Janotti A, Chase DB, Sparks DL, Rabolt JF |
| 9483 - 9491 |
Quantum Impurity Rotator in a Matrix of Quantum Rotors: Electron Paramagnetic Resonance Dynamics of CH3 in Solid CD4 Matrix
Dmitriev YA, Benetis NP |
| 9492 - 9497 |
Thermally Induced Protonation of Conducting Polyaniline Film by Dibutyl Phosphite Conversion to Phosphate
Trchova M, Blaha M, Dybal J, Stejskal J |
| 9498 - 9511 |
Mechanisms of the Ethynyl Radical Reaction with Molecular Oxygen
Bowman MC, Burke AD, Turney JM, Schaefer HF |
| 9512 - 9517 |
Temperature Dependence in the NEXAFS Spectra of n-Alkanes
Perera SD, Shokatian S, Wang J, Urquhart SG |
| 9518 - 9541 |
Evaluated Site-Specific Rate Constants for Reaction of Isobutane with H and CH3: Shock Tube Experiments Combined with Bayesian Model Optimization
Mertens LA, Awan IA, Sheen DA, Manion JA |
| 9542 - 9552 |
Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling
Iyer S, Reiman H, Moller KH, Rissanen MP, Kjaergaard HG, Kurten T |
| 9553 - 9562 |
Atmospheric Decomposition of Trifluoromethanol Catalyzed by Formic Acid
Parandaman A, Perez JE, Sinha A |
| 9563 - 9571 |
Self-Reaction of ortho-Benzyne at High Temperatures Investigated by Infrared and Photoelectron Spectroscopy
Hirsch F, Reusch E, Constantinidis P, Fischer I, Bakels S, Rijs AM, Hemberger P |
| 9572 - 9578 |
Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur
Dickel D, Gwaltney SR, Mun S, Baskes MI, Horstemeyer MF |
| 9579 - 9584 |
Bond Dissociation Triggering Molecular Disorder in Amorphous H2O
Hada M, Shigeeda Y, Koshihara S, Nishikawa T, Yamashita Y, Hayashi Y |
| 9585 - 9586 |
Testing Semiempirical QM Methods on a Data Set of Interaction Energies Mapping Repulsive Contacts in Organic Molecules(vol 122, pg 2801, 2018)
Miriyala VM, Rezac J |
