Table of Contents [1–25 of 81 articles]

• Table of Contents for Year 2012
• Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long-Range Interactions, and Spectroscopy, Laimutis Bytautas, Joel M. Bowman, Xinchuan Huang, and António J. C. Varandas
  Volume 2012 (2012), Article ID 679869, 4 pages
• The N⋯HF Interactions in the X-Pyridazine⋯(HF)2 Complexes: Substituent Effects and Energy Components, Ali Ebrahimi, Mostafa Habibi-Khorassani, Farideh Badichi Akher, and Abdolkarim Farrokhzadeh
  Volume 2012 (2012), Article ID 362608, 9 pages
• Advances in Electrocatalysis, Milan M. Jaksic, Wolfgang Schmickleer, and Gianluigi Botton
  Volume 2012 (2012), Article ID 180604, 4 pages
• Fundamental Mechanistic Understanding of Electrocatalysis of Oxygen Reduction on Pt and Non-Pt Surfaces: Acid versus Alkaline Media, Nagappan Ramaswamy and Sanjeev Mukerjee
  Volume 2012 (2012), Article ID 491604, 17 pages
• Analytical Expressions Pertaining to the Concentration of Substrates and Product in Phenol-Polyphenol Oxidase System Immobilized in Laponite Hydrogels: A Reciprocal Competitive Inhibition Process, K. Indira and L. Rajendran
  Volume 2012 (2012), Article ID 212818, 11 pages
• Potential Energy Surfaces for Reactions of X Metal Atoms (X = Cu, Zn, Cd, Ga, Al, Au, or Hg) with YH₄ Molecules (Y = C, Si, or Ge) and Transition Probabilities at Avoided Crossings in Some Cases, Octavio Novaro, María del Alba Pacheco-Blas, and Juan Horacio Pacheco-Sánchez
  Volume 2012 (2012), Article ID 720197, 17 pages
• New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled 11A′ and 11A′′ States of CH₂, Haitao Ma, Chunfang Zhang, Zhijun Zhang, Xiaojun Liu, and Wensheng Bian
  Volume 2012 (2012), Article ID 236750, 12 pages
• Applications of Potential Energy Surfaces in the Study of Enzymatic Reactions, Eric A. C. Bushnell, WenJuan Huang, and James W. Gauld
  Volume 2012 (2012), Article ID 867409, 15 pages
• Quantum Instanton Evaluations of the Thermal Rate Constants for Complex Systems, Yi Zhao and Wenji Wang
  Volume 2012 (2012), Article ID 483504, 16 pages
• Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function, Mehdi Ayouz and Dmitri Babikov
  Volume 2012 (2012), Article ID 951371, 9 pages
• Potential Energy Surface of NO on Pt(997): Adsorbed States and Surface Diffusion, N. Tsukahara and J. Yoshinobu
  Volume 2012 (2012), Article ID 571657, 9 pages
• Exploring Multiple Potential Energy Surfaces: Photochemistry of Small Carbonyl Compounds, Satoshi Maeda, Koichi Ohno, and Keiji Morokuma
  Volume 2012 (2012), Article ID 268124, 13 pages
• Ab Initio Potential Energy Surfaces for Both the Ground (X̃1A′) and Excited (A∼1A′′) Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr, Anyang Li, Sen Lin, and Daiqian Xie
  Volume 2012 (2012), Article ID 572148, 20 pages
• Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems, J. Espinosa-Garcia, M. Monge-Palacios, and J. C. Corchado
  Volume 2012 (2012), Article ID 164752, 19 pages
• Table of Contents for Year 2011
• Transient Exciplex Formation Electron Transfer Mechanism, Michael G. Kuzmin, Irina V. Soboleva, and Elena V. Dolotova
  Volume 2011 (2011), Article ID 813987, 18 pages
• (Photo)electrochemical Methods for the Determination of the Band Edge Positions of TiO₂-Based Nanomaterials, Radim Beranek
  Volume 2011 (2011), Article ID 786759, 20 pages
• Multiscale Modeling of Au-Island Ripening on Au(100), Karin Kleiner, Aleix Comas-Vives, Maryam Naderian, Jonathan E. Mueller, Donato Fantauzzi, Mostafa Mesgar, John A. Keith, Josef Anton, and Timo Jacob
  Volume 2011 (2011), Article ID 252591, 11 pages
• Spillover Phenomena and Its Striking Impacts in Electrocatalysis for Hydrogen and Oxygen Electrode Reactions, Georgios D. Papakonstantinou, Jelena M. Jaksic, Diamantoula Labou, Angeliki Siokou, and Milan M. Jaksic
  Volume 2011 (2011), Article ID 412165, 22 pages
• Atomic Layer Deposition of MgO Nanofilms on BaMgAl₁₀O₁₇:Eu²⁺ Blue Phosphors, Hyug Jong Kim, Hee Gyu Kim, In Gu Kang, and Byung Ho Choi
  Volume 2011 (2011), Article ID 275695, 4 pages
• N-TiO2: Chemical Synthesis and Photocatalysis, Matias Factorovich, Lucas Guz, and Roberto Candal
  Volume 2011 (2011), Article ID 821204, 8 pages
• Synthesis of Mixed Rb-Zn Ferrites by Novel Solution Combustion Method and Investigation on Their Microstructural Properties, Manik Gupta and Balwinder S. Randhawa
  Volume 2011 (2011), Article ID 247320, 5 pages
• Diffraction Measurements and Equilibrium Parameters, Victor A. Sipachev
  Volume 2011 (2011), Article ID 864714, 14 pages
• Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups, Renato Lemus
  Volume 2011 (2011), Article ID 593872, 38 pages
• Mechanisms of Oxidation-Reduction Reactions Can Be Predicted by the Magnetic Isotope Effect, Vladimir N. Epov
  Volume 2011 (2011), Article ID 450325, 7 pages
• Sequential Electrodeposition of Platinum-Ruthenium at Boron-Doped Diamond Electrodes for Methanol Oxidation, Ileana González-González, Camille Lorenzo-Medrano, and Carlos R. Cabrera
  Volume 2011 (2011), Article ID 679246, 10 pages