1 - 9 |
Gas-phase protein assemblies: Unfolding landscapes and preserving native-like structures using noncovalent adducts Freeke J, Bush MF, Robinson CV, Ruotolo BT |
10 - 15 |
Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree-Fock DFT for predicting transition states Verma P, Perera A, Bartlett RJ |
16 - 19 |
Photo-induced chemical processes on metal-semiconductor-metal nanostructures Zhdanov VP, Kasemo B |
20 - 24 |
Theoretical studies on the optimal X (OH)(3)-H2O (X = N, P, Sb) complexes: Interaction energies and topological analysis of the electronic density Ramirez-Solis A, Ho M, Hernandez-Cobos J, Ortega-Blake I |
25 - 31 |
Large amplitude vibrations of Urea in gas phase Inostroza N, Senent ML |
32 - 37 |
Atmospheric chemistry of CF3CH2OCH3: Reaction with chlorine atoms and OH radicals, kinetics, degradation mechanism and global warming potential Osterstrom FF, Nielsen OJ, Andersen MPS, Wallington TJ |
38 - 41 |
Cation spectroscopy of o-fluoroanisole and p-fluoroanisole by two-color resonant two-photon mass-analyzed threshold ionization Shiung KS, Yu D, Tzeng SY, Tzeng WB |
42 - 48 |
Photoinduced electron-transfer reactions and magnetic field effects on the decay rates of a photogenerated biradical from zinc porphyrin-viologen linked compounds in an ionic liquid Tahara H, Yonemura H, Harada S, Nakashima A, Yamada S |
49 - 55 |
Modeling zero-field splitting parameters for dopant Mn2+ and Fe3+ ions in anatase TiO2 crystal using superposition model analysis Acikgoz M, Gnutek P, Rudowicz C |
56 - 61 |
The number-adaptive multiscale QM/MM molecular dynamics simulation: Application to liquid water Takenaka N, Kitamura Y, Koyano Y, Nagaoka M |
62 - 67 |
Ultra low-k property of hydrogenated carbon nitride: Chemical evaluation Majumdar A, Das SC, Shripathi T, Hippler R |
68 - 72 |
First principles description of the insulator-metal transition in europium monoxide Wang H, Schuster C, Schwingenschlogl U |
73 - 77 |
High-field electron paramagnetic resonance as a microscopic probe of anisotropic strain at Mn2+ sites in CdSe:Mn2+ quantum dots Wang ZX, Zheng WW, van Tol J, Dalal NS, Strouse GF |
78 - 83 |
FePt3/CoFe2O4 core/shell nanostructures and their magnetic properties Akbari H, Sebt SA, Arabi H, Zeynali H, Elahi M |
84 - 89 |
Ab-initio complex molecular potential energy surfaces by the back-rotation transformation method Balanarayan P, Sajeev Y, Moiseyev N |
90 - 95 |
Monte Carlo simulation of several biologically relevant molecules and zwitterions in water Patuwo MY, Bettens RPA |
96 - 99 |
Computing polarizabilities without a Hamiltonian matrix Wlotzka A, Carrington T |
100 - 106 |
A new topological parameter for monitoring subtle aggregation events in host-guest inclusion processes Novato WTG, De Almeida WB, Dos Santos HF |
107 - 111 |
Mean Gradient Charge: A new definition of atomic charge using induced atomic gradient Choi CH |
112 - 115 |
Comment on'Selection rules for Brillouin light scattering from eigenvibrations of a sphere' [Chem. Phys. Lett. 461 (2008) 111] Mattarelli M, Montagna M |
116 - 116 |
Dynamic phenomena and viscous properties in a liquid crystal: A theoretical treatment and molecular dynamic simulations (vol 514, pg 124, 2011) Capar MI, Cebe E, Zakharov AV |