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    2012
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Synergistic Effect of [Ru(III) + Ir(III)] in N-Bromosuccinimide Reaction with Certain Aliphatic Ketones: A Kinetic Study

P. Giridhar Reddy,  K. Ramesh,  S. Shylaja,  K. C. Rajanna,  S. Kandlikar, 
  • First Published: 25 December 2012
Research Article
Open Access

Structural Studies on Nonequilibrium Microstructures of Dioctyl Sodium Dodecyl Sulfosuccinate (Aerosol-OT) in p-Toluenesulfonic Acid and Phosphatidylcholine

M. K. Temgire,  C. Manohar,  Jayesh Bellare,  S. S. Joshi, 
  • First Published: 08 December 2012
Research Article
Open Access

Kinetics and Mechanism of Oxidation of L-Ascorbic Acid by Pt(IV)(aq) in Aqueous Hydrochloric Acid Medium

Sadhana Senapati,  S. P. Das,  A. K. Patnaik, 
  • First Published: 20 November 2012
Research Article
Open Access

Characterization of the Chemical Kinetics in an O2/HMDSO RF Plasma for Material Processing

Ruggero Barni,  Stefano Zanini,  Claudia Riccardi, 
  • First Published: 19 November 2012
Research Article
Open Access

A Theoretical Investigation of the Ring Strain Energy, Destabilization Energy, and Heat of Formation of CL-20

John A. Bumpus, 
  • First Published: 24 October 2012
Research Article
Open Access

Excess Transport Properties of Binary Mixtures of Quinoline with Xylenes at Different Temperatures

Sk. Fakruddin,  Ch. Srinivasu,  B. R. Venkateswara Rao,  K. Narendra, 
  • First Published: 11 October 2012
Research Article
Open Access

Microscopic Rate Constants of Crystal Growth from Molecular Dynamic Simulations Combined with Metadynamics

Dániel Kozma,  Gergely Tóth, 
  • First Published: 30 August 2012
Research Article
Open Access

Predicting Heats of Explosion of Nitroaromatic Compounds through NBO Charges and  15N NMR Chemical Shifts of Nitro Groups

Ricardo Infante-Castillo,  Samuel P. Hernández-Rivera, 
  • First Published: 30 August 2012
Research Article
Open Access

Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N-Diethyl-N-methyl-N-(2-methoxyethyl) Ammonium Cation

Takahiro Takekiyo,  Yusuke Imai,  Hiroshi Abe,  Yukihiro Yoshimura, 
  • First Published: 23 August 2012
Research Article
Open Access

Positronium in a Liquid Phase: Formation, Bubble State and Chemical Reactions

Sergey V. Stepanov,  Vsevolod M. Byakov,  Dmitrii S. Zvezhinskiy,  Gilles Duplâtre,  Roman R. Nurmukhametov,  Petr S. Stepanov, 
  • First Published: 21 August 2012
Research Article
Open Access

Electromagnetic Fields Effects on the Secondary Structure of Lysozyme and Bioprotective Effectiveness of Trehalose

Emanuele Calabrò,  Salvatore Magazù, 
  • First Published: 09 August 2012
Research Article
Open Access

Fluorescence Quenching by Reversible Charge Separation Followed by Ions Recombination and Their Separation Suppressed by Coulomb Attraction

A. I. Burshtein,  A. B. Doktorov, 
  • First Published: 15 July 2012
Research Article
Open Access

Effect of Hetero Atom on the Hammett’s Reaction Constant (ρ) from the Physical Basis of Dissociation Equilibriums of (Dithio) Benzoic Acids and (Thio) Phenols and Its Application to Solvolysis Reactions and Some Free Radical Reactions

Jagannadham Vandanapu,  Sanjeev Rachuru, 
  • First Published: 03 July 2012
Research Article
Open Access

Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants

Rommel B. Viana,  Albérico B. F. da Silva,  André S. Pimentel, 
  • First Published: 12 June 2012
Editorial
Open Access

Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long-Range Interactions, and Spectroscopy

Laimutis Bytautas,  Joel M. Bowman,  Xinchuan Huang,  António J. C. Varandas, 
  • First Published: 06 May 2012
Research Article
Open Access

The N⋯HF Interactions in the X-Pyridazine⋯(HF) 2 Complexes: Substituent Effects and Energy Components

Ali Ebrahimi,  Mostafa Habibi-Khorassani,  Farideh Badichi Akher,  Abdolkarim Farrokhzadeh, 
  • First Published: 09 April 2012
Editorial
Open Access

Advances in Electrocatalysis

Milan M. Jaksic,  Wolfgang Schmickleer,  Gianluigi Botton, 
  • First Published: 21 March 2012
Review Article
Open Access

Fundamental Mechanistic Understanding of Electrocatalysis of Oxygen Reduction on Pt and Non-Pt Surfaces: Acid versus Alkaline Media

Nagappan Ramaswamy,  Sanjeev Mukerjee, 
  • First Published: 20 March 2012
Research Article
Open Access

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,  L. Rajendran, 
  • First Published: 14 March 2012
Review Article
Open Access

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,  Juan Horacio Pacheco-Sánchez, 
  • First Published: 18 January 2012
Research Article
Open Access

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,  Wensheng Bian, 
  • First Published: 12 January 2012
Review Article
Open Access

Applications of Potential Energy Surfaces in the Study of Enzymatic Reactions

Eric A. C. Bushnell,  WenJuan Huang,  James W. Gauld, 
  • First Published: 18 December 2011
Review Article
Open Access

Quantum Instanton Evaluations of the Thermal Rate Constants for Complex Systems

Yi Zhao,  Wenji Wang, 
  • First Published: 11 December 2011
Research Article
Open Access

Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function

Mehdi Ayouz,  Dmitri Babikov, 
  • First Published: 10 November 2011
Review Article
Open Access

Potential Energy Surface of NO on Pt(997): Adsorbed States and Surface Diffusion

N. Tsukahara,  J. Yoshinobu, 
  • First Published: 26 October 2011
Review Article
Open Access

Exploring Multiple Potential Energy Surfaces: Photochemistry of Small Carbonyl Compounds

Satoshi Maeda,  Koichi Ohno,  Keiji Morokuma, 
  • First Published: 15 October 2011
Research Article
Open Access

Ab Initio Potential Energy Surfaces for Both the Ground () and Excited () Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr

Anyang Li,  Sen Lin,  Daiqian Xie, 
  • First Published: 13 October 2011
Review Article
Open Access

Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems

J. Espinosa-Garcia,  M. Monge-Palacios,  J. C. Corchado, 
  • First Published: 09 October 2011