| 4325 - 4332 |
Cyclic Ketones as Future Fuels: Reactivity with OH Radicals
Liu DP, Giri BR, Farooq A |
| 4333 - 4341 |
C-N Bond Rotation Controls Photoinduced Electron Transfer in an Aminostyrene-Stilbene Donor-Acceptor System
Huang YC, Cheng YC |
| 4342 - 4353 |
Photo-Oxidation Reaction Kinetics and Mechanistics of 4-Hydroxy-2-butanone with Cl Atoms and OH Radicals in the Gas Phase
Balan RC, Rajakumar B |
| 4354 - 4359 |
Theoretical Insight into a Nonadiabatic Proton-Coupled Electron Transfer Mechanism of Reduced Flavin Oxygenation
Luo YL, Liu YJ |
| 4360 - 4369 |
Direct Dynamics Simulations of the CH2 + O-2 Reaction on the Ground- and Excited-State Singlet Surfaces
Lakshmanan S, Pratihar S, Hase WL |
| 4370 - 4378 |
Evaluation of Matrix Elements Using Diffusion Monte Carlo Wave Functions Published as part of The Journal of Physical Chemistry virtual special issue "Hanna Reisler Festschrift"
Lee VGM, Madison LR, McCoy AB |
| 4379 - 4388 |
Schrodinger Correspondence Applied to Crystals Published as part of The Journal of Physical Chemistry virtual special issue "William P. Reinhardt Festschrift"
Heller EJ, Kim D |
| 4389 - 4395 |
Molecular Structure of 1-Isocyano-1-silacyclopent-3-ene: A Combined Microwave Spectral and Theoretical Study
Guirgis GA, Sonstrom RE, Clark AJ, Pate BH, Palmer MH |
| 4396 - 4405 |
Effects of Entangled IR Radiation and Tunneling on the Conformational Interconversion of 2-Cyanophenol
Jesus AJL, Nunes CM, Reva I, Pinto SMV, Fausto R |
| 4406 - 4418 |
Configuration Space Analysis of the Specific Rotation of Helicenes
Aharon T, Caricato M |
| 4419 - 4430 |
Photoinitiated Intramolecular Proton Transfer in Deprotonated para-Coumaric Acid
Bull JN, da Silva G, Scholz MS, Carrascosa E, Bieske EJ |
| 4431 - 4442 |
Overtones of nu C N Vibration as a Probe of Structure of Liquid CH3CN, CD3CN, and CCl3CN: Combined Infrared, Near-Infrared, and Raman Spectroscopic Studies with Anharmonic Density Functional Theory Calculations
Bec KB, Karczmit D, Kwasniewicz M, Ozaki Y, Czarnecki MA |
| 4443 - 4451 |
Benzenium Ion: Aromatic as the pi-Complex or Antiaromatic as the sigma-Complex Being Somewhat Similar to the Cyclopentadienyl Cation
Kleinpeter E, Koch A |
| 4452 - 4464 |
Thermodynamics of OHgX, XHgOH, XHgOCl, XHgOBr, and HOHgY Gaseous Oxidized Mercury Molecules from Isodesmic, Isogyric, and Atomization Work Reactions (X = Halogen, Y = OH, OCl, OBr)
Guzman FJ, Bozzelli J |
| 4465 - 4474 |
Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach
Ratcliff LE, Thornton WS, Mayagoitia AV, Romero NA |
| 4475 - 4485 |
Lennard-Jones Intermolecular Potentials for the Description of 6-Membered Aromatic Heterocycles Interacting with the Isoelectronic CO2 and CS2
Vidal-Vidal A, Lopez CS, Faza ON |
| 4486 - 4499 |
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality
Amabilino S, Bratholm LA, Bennie SJ, VaucherM AC, Reiher M, Glowacki DR |
| 4500 - 4511 |
Basis Set Superposition Errors in the Many-Body Expansion of Molecular Properties
Peyton BG, Crawford TD |
