| 4639 - 4657 |
New Developments in Semiclassical Transition-State Theory
Shang X, Burd TAH, Clary DC |
| 4658 - 4670 |
Exploring Amyloid-beta Dimer Structure Using Molecular Dynamics Simulations
Mehrazma B, Rauk A |
| 4671 - 4678 |
Gas-Phase Reaction between CF2O and CF3C(O)OH: Characterization of CF3C(O)OC(O)F
Berasategui M, Arguello GA, Paci MAB |
| 4679 - 4692 |
Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces
Dana AG, Moore KB, Jasper AW, Green WH |
| 4693 - 4701 |
Site-Selective Isomerization of Cyano-Substituted Butadienes: Chemical Control of Nonadiabatic Dynamics
MacDonell RJ, Schuurman MS |
| 4702 - 4707 |
Controlling Electron Dynamics with Carrier-Envelope Phases of a Laser Pulse
Dey D, Ray D, Tiwari AK |
| 4708 - 4716 |
S-1/S-0 Potential Energy Surfaces Experience Different Types of Restricted Rotation: Restricted Z/E Photoisomerization and E/Z Thermoisomerization by an Out-of-Plane Benzyl Group or In-Plane m-Pyridinium Group?
Xu JJ, Sung R, Sung K |
| 4717 - 4726 |
Photophysics of Acyl- and Ester-DBD Dyes: Quadrupole-Induced Solvent Relaxation Investigated by Transient Absorption Spectroscopy
Haubitz T, John L, Wessig P, Kumke MU |
| 4727 - 4736 |
Effects of Naphthyl Connectivity on the Photophysics of Compact Organic Charge-Transfer Photoredox Catalysts
Sartor SM, Lattke YM, McCarthy BG, Miyake GM, Damrauer NH |
| 4737 - 4742 |
Size-Dependent Relaxation Processes of Photoexcited [n]Cycloparaphenylenes (n=5-12): Significant Contribution of Internal Conversion in Smaller Rings
Fujitsuka M, Lu C, Zhuang B, Kayahara E, Yamago S, Majima T |
| 4743 - 4749 |
Activation of CO2 in Photoirradiated CO2-H2O Clusters: Direct Ab Initio Molecular Dynamics (MD) Study
Tachikawa H |
| 4750 - 4754 |
Infrared Spectra of the 1-Methylvinoxide Radical and Anion Isolated in Solid Argon
Lin MY, Huang TP, Wu PZ, Chin CH, Wu YJ |
| 4755 - 4763 |
Variationally Computed IR Line List for the Methyl Radical CH3
Adam AY, Yachmenev A, Yurchenko SN, Jensen P |
| 4764 - 4775 |
Theoretical Calculation of Reaction Rates and Combustion Kinetic Modeling Study of Triethyl Phosphate (TEP)
Neupane S, Rahman RK, Masunov AE, Vasu SS |
| 4776 - 4784 |
Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 (sic) CH3 + CH3
Wang CH, Panteleev SV, Masunov AE, Allison TC, Chang S, Lim C, Jin Y, Vasu SS |
| 4785 - 4795 |
Domain Separation in Density Functional Theory
Mosquera MA, Jones LO, Borca CH, Ratner MA, Schatz GC |
| 4796 - 4805 |
Performance of ACE-Reaction on 26 Organic Reactions for Fully Automated Reaction Network Construction and Microkinetic Analysis
Kim JW, Kim Y, Baek KY, Lee K, Kim WY |
| 4806 - 4815 |
On the Models for the Investigation of Charged Defects in Solids: The Case of the VN- Defect in Diamond
Dovesi R, Gentile FS, Ferrari AM, Pascale F, Salustro S, D'Arco P |
