| 13987 - 13996 |
Implementation of Dynamical Nucleation Theory Effective Fragment Potentials Method for Modeling Aerosol Chemistry
Devarajan A, Windus TL, Gordon MS |
| 13997 - 14005 |
Density Functional Study of the Structures and Electronic Properties of Nitrogen-Doped Ni-n Clusters, n=1-10
Chikhaoui A, Haddab K, Bouarab S, Vega A |
| 14006 - 14012 |
Reactions of Atomic Metal Anions in the Gas phase: Competition between Electron Transfer, Proton Abstraction and Bond Activation
Curtis S, DiMuzio J, Mungham A, Roy J, Hassan D, Renaud J, Mayer PM |
| 14013 - 14021 |
In Situ Kinetic Study on Hydrothermal Transformation of D-Glucose into 5-Hydroxymethylfurfural through D-Fructose with C-13 NMR
Kimura H, Nakahara M, Matubayasi N |
| 14022 - 14033 |
Excited State ab Initio and Franck-Condon Simulation of S-1 -> S-0 Fluorescence Excitation Spectra of p-, m-, and o-Difluorobenzenes
Yang QL, He RX, Shen W, Li HB, Li M, Zhu CY, Lin SH |
| 14034 - 14039 |
BF2-Azadipyrromethenes: Probing the Excited-State Dynamics of a NIR Fluorophore and Photodynamic Therapy Agent
Batat P, Cantuel M, Jonusauskas G, Scarpantonio L, Palma A, O'Shea DF, McClenaghan ND |
| 14040 - 14044 |
O-H Stretch Overtone Excitation of Ethyl Hydroperoxide Conformers
Hsieh S, Thida T, Nyamumbo MK, Smith KA, Naamad N, Linck RG |
| 14045 - 14053 |
Ab Initio Adiabatic and Diabatic Energies and Dipole Moments of the CaH+ Molecular Ion
Habli H, Dardouri R, Oujia B, Gadea FX |
| 14054 - 14068 |
Density Functional Study of Hydrogen Bond Formation between Methanol and Organic Molecules Containing Cl, F, NH2, OH, and COOH Functional Groups
Kolev SK, St Petkov P, Rangelov MA, Vayssilov GN |
| 14069 - 14077 |
Charge-Assisted Intramolecular Hydrogen Bonds in Disubstituted Cyclohexane Derivatives
Jesus AJL, Redinha JS |
| 14078 - 14091 |
Equilibrium Structures of Heterocyclic Molecules with Large Principal Axis Rotations upon Isotopic Substitution
Demaison J, Csaszar AG, Margules LD, Rudolph HD |
| 14092 - 14099 |
Theoretical Investigation into Competing Unimolecular Reactions Encountered in the Pyrolysis of Acetamide
Altarawneh M, Al-Muhtaseb AH, Almatarneh MH, Poirier RA, Assaf NW, Altarawneh KK |
| 14100 - 14109 |
Structure, Thermodynamics, and Energy Content of Aluminum-Cyclopentadienyl Clusters
Williams KS, Hooper JP |
| 14110 - 14119 |
Theoretical Study of the Structural Properties of Plutonium(IV) and (VI) Complexes
Odoh SO, Schreckenbach G |
| 14120 - 14126 |
Conical Intersection of the Ground and First Excited States of Water: Energies and Reduced Density Matrices from the Anti-Hermitian Contracted Schrodinger Equation
Snyder JW, Mazziotti DA |
| 14127 - 14128 |
Reply to "Comment on'Electronic Structures, Vibrational and Thermochemical Properties of Neutral and Charged Niobium Clusters Nb-n, n=7-12'"
Nhat PV, Ngan VT, Tai TB, Nguyen MT |
