Special issue on Theoretical Chemistry and Electrochemistry
| Title |
Author |
Pages | View Pdf |
| Contents | 549–558 | Click | |
| Foreword | 559–560 | Click | |
| Test of theoretical models for ultrafast heterogeneous electron transfer with femtosecond two-photon photoemission data | Lars Gundlach, Tobias Letzig and Frank Willig | 561–574 | Click |
| Some properties of electrochemical nanostructures | E Santos, P Quaino, German Soldano and W Schmickler | 575–577 | Click |
| Generalized Warburg impedance on realistic self-affine fractals: Comparative study of statistically corrugated and isotropic roughness | Rajesh Kumar and Rama Kant | 579–588 | Click |
| Theory of coherent molecule to surface electron injection: An analytical model | S Ramakrishna, T Seideman, F Willig and V May | 589–594 | Click |
| Partition function of nearest neighbour Ising models: Some new insights | G Nandhini and M V Sangaranarayanan | 595–599 | Click |
| Simulation for memory effect of Fick’s first law | Koichi Aoki | 601–605 | Click |
| Graham’s law of diffusion: Quantum analogy and non-ideality | Chandrachur Das, Nabakumar Bera and Kamal Bhattacharyya | 607–615 | Click |
| Spectrometric mixture analysis: An unexpected wrinkle | Robert de Levie | 617–627 | Click Supplementary material |
| Electrochemical studies of redox probes in self-organized lyotropic liquid crystalline systems | P Suresh Kumar and V Lakshminarayanan | 629–638 | Click |
| Surface modification of RuO2 electrodes by laser irradiation and ion implantation: Evidence of electrocatalytic effects | E Guerrini, A Colombo and S Trasatti | 639–646 | Click |
| Poly (vinyl alcohol) hydrogel membrane as electrolyte for direct borohydride fuel cells | N
A Choudhury, S K Prashant, S Pitchumani, P Sridhar and A K Shukla |
647–654 | Click |
| Platinum-carbon black-titanium dioxide nanocomposite electrocatalysts for fuel cell applications | Satheesh Sambandam, Vinodh Valluri, Wilaiwan Chanmanee, Norma R De Tacconi, Wesley A Wampler, Wen-Yuan Lin, Thomas F Carlson, Vijay Ramani and Krishnan Rajeshwar | 655–664 | Click |
| Tailoring self-assembled monolayers at the electrochemical interface | S Varatharajan, Sheela Berchmans and V Yegnaraman | 665–674 | Click |
| Electrochemical reduction of hydrogen peroxide on stainless steel | S Patra and N Munichandraiah | 675–683 | Click |
| Electrodeposition of BaCO3 coatings on stainless steel substrates: Oriented growth in the presence of complexing agents | Sumy Joseph, Sarala Upadhya and P Vishnu Kamath | 685–691 | Click
Supplementary material |
| A comparative electrochemical study of electrosorbed 2- and 4-mercaptopyridines and their application as corrosion inhibitors at C60 steel | Nazly Hassan and Rudolf Holze | 693–701 | Click |
| A
Nafion®-based
co-planar electrode amperometric sensor for methanol determination in the gas phase |
K Wallgren and S Sotiropoulos | 703–709 | Click |
| X-Ray photoelectron spectroscopic investigation of phenosafranine adsorbed onto micro and mesoporous materials | S Easwaramoorthi, K Ananthanarayanan, B Sreedhar and P Natarajan | 711–718 | Click |
| Imaging hydrogen oxidation activity of catalyst-coated perfluoro sulfonic acid-polymer electrolyte membranes using Scanning Electrochemical Microscopy | Meera Parthasarathy and Vijayamohanan K Pillai | 719–725 | Click |
| Hydrogel membrane electrolyte for electrochemical capacitors | S Sampath, N A Choudhury and A K Shukla | 727–734 | Click |
| Core–shell Au/Ag nanoparticles embedded in silicate sol–gel network for sensor application towards hydrogen peroxide | Shanmugam Manivannan and Ramasamy Ramaraj | 735–743 | Click |
| Structure transitions between copper-sulphate and copper-chloride UPD phases on Au(111) | Ilya V Pobelov, Gábor Nagy and Thomas Wandlowski | 745–756 | Click |
| On optimal designing of low frequency polychromatic fields for facile photo-dissociation of model diatomic molecules | S Ghosh, K Maji, R Sharma and S P Bhattacharyya | 757–766 | Click |
| Quantum entanglement and teleportation using statistical correlations | Atul Kumar and Mangala Sunder Krishnan | 767–775 | Click |
| Distance dependence of fluorescence resonance energy transfer | R S Swathi and K L Sebastian | 777–787 | Click |
| Nonadiabatic quantum wave packet dynamics of the H + H2 reaction including the coriolis coupling | B Jayachander Rao and S Mahapatra | 789–795 | Click |
| Quantum dynamics of vibrational excitations and vibrational charge transfer processes in H+ + O2 collisions at collision energy 23 eV | Saieswari Amaran and Sanjay Kumar | 797–803 | Click |
| Effective harmonic oscillator description of anharmonic molecular vibrations | Tapta Kanchan Roy and M Durga Prasad | 805–810 | Click |
| A new scaling algorithm for predicting vibrational spectra of polyatomic molecules | M Vijay Madhav and S Manogaran | 811–813 | Click
Supplementary material |
| Signatures
of molecular recognition from the topography of electrostatic potential |
Dhimoy K Roy, P Balanarayan and Shridhar R Gadre | 815–821 | Click |
| Computing magnetic anisotropy constants of single molecule magnets | S
Ramasesha, Shaon Sahoo, Rajamani Raghunathan and Diptiman Sen |
823–837 | Click |
| Structure and stability of spiro-cyclic water clusters | M Elango, V Subramanian and N Sathyamurthy | 839–848 | Click |
| Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters | S Duley, S Giri, A Chakraborty and P K Chattaraj | 849–858 | Click
Supplementary material |
| Fluorine effect on pericyclic and pseudopericyclic processes: Evidences and ab initio theory | Lakshminarayanan Akilandeswari, Madhavan Jaccob and Ponnambalam Venuvanalingam | 859–866 | Click |
| Electronic structure analysis and vertical ionization energies of thiophene and ethynylthiophenes | Raman K Singh and Manoj K Mishra | 867–872 | Click Supplementary material |
| Electronic absorption spectra and nonlinear optical properties of CO2 molecular aggregates: A quantum chemical study | Tarun K Mandal, Sudipta Dutta and Swapan K Pati | 873–880 | Click |
| Comparison between implicit and hybrid solvation methods for the determination of pKa of mono-protonated form of 132-(demethoxycarbonyl) pheophytin a in methanol | Nital Mehta and Sambhu N Datta | 881–886 | Click |
| Statistical theory of neutral protein evolution by random site mutations | Arnab Bhattacherjee and Parbati Biswas | 887–896 | Click |
| Work distribution for a particle moving in an optical trap and non-Markovian bath | Alok Samanta, K Srinivasu and Swapan K Ghosh | 897–904 | Click |
| Growth and decay of large fluctuations far from equilibrium | Shrabani Sen, Syed Shahed Riaz and Deb Shankar Ray | 905–911 | Click |
| Evaluation of collective transport properties of ionic melts from molecular dynamics simulations | Manish Agarwal and Charusita Chakravarty | 913–919 | Click |
| A comparative molecular dynamics study of diffusion of n-decane and 3-methyl pentane in Y zeolite | F
G Pazzona, B J Borah, P Demontis, G B Suffritti and S Yashonath |
921–927 | Click |
| nth-Nearest neighbour distribution functions of a binary fluid mixture | P Sur and B Bhattacharjee | 929–934 | Click |
| An improved numerical approximation for the first derivative | Robert de Levie | 935–950 | Click |