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Special Issue on Theoretical Chemistry Symposium 2006 |
| Title |
Author |
Page | View Pdf |
| Contents |
|
326–331 | Click |
| Foreword |
|
333 | Click |
| Time-dependent quantum fluid density functional theory of hydrogen molecule under intense laser fields |
Amita Wadehra and B M Deb |
335–341 |
Click |
| Orientational dynamics and energy landscape features of thermotropic liquid crystals: An analogy with supercooled liquids |
Biman Jana and Biman Bagchi |
343–350 | Click |
| Retarded Boson–Fermion interaction in atomic systems |
Sambhu N Datta |
351–356 | Click |
| Quantum electron transfer processes induced by thermo-coherent state |
Sumana Banerjee and |
357–366 | Click |
| Filled and empty states of carbon nanotubes in water: Dependence on nanotube diameter, wall thickness and dispersion interactions |
Malay Rana and Amalendu Chandra |
367–376 | Click |
| Selective control of HOD photodissociation using CW lasers |
Manabendra Sarma, S Adhikari and Manoj K Mishra |
377–384 | Click |
| Calculation of vibrational excitation cross-sections in resonant electron-molecule scattering using the time-dependent wave packet (TDWP) approach with application to the 2P CO– shape resonance |
Raman Kumar Singh, Manabendra Sarma, Ankit Jain, Satrajit Adhikari and Manoj K Mishra |
385–389 | Click |
| Non-ideality in born-free energy of solvation in alcohol–water and dimethylsulfoxide–acetonitrile mixtures: Solvent size ratio and ion size dependence |
Hemant K Kashyap and Ranjit Biswas |
391–399 | Click |
| Reactive chemical dynamics through conical intersections |
S Ghosal, B Jayachander Rao and |
401–407 | Click |
| Diabatic potential energy surfaces of H+ + CO |
F George D X and Sanjay Kumar |
409–415 | Click |
| Effective Floquet Hamiltonian for spin I = 1 in magic angle spinning NMR using contact transformation |
Manoj Kumar Pandey and Mangala Sunder Krishnan |
417–422 | Click |
| Non-adiabatic collisions in H+ + O2 system: An ab initio study |
A Saieswari and Sanjay Kumar |
423–431 | Click |
| Quantum control of vibrational excitations in a heteronuclear diatomic molecule |
Sitansh Sharma, Purshotam Sharma and Harjinder Singh |
433–440 | Click |
| Controlling dynamics in diatomic systems |
Praveen Kumar and Harjinder Singh |
441–447 | Click |
| Integrated rate expression for the production of glucose equivalent in C4 green plant and the effect of temperature |
Anirban Panda and Sambhu N Datta |
449–456 | Click |
| Quantum chemical investigation of the reaction of O(3P2) with certain hydrocarbon radicals |
Ashutosh Gupta, R P Singh, V B
Singh, Brijesh Kumar Mishra and |
457–465 | Click |
| Insertion of singlet chlorocarbenes across C–H bonds in alkanes: Evidence for two phase mechanism |
M Ramalingam, K
Ramasami and |
467–473 | Click |
| An atom counting and electrophilicity based QSTR approach |
P K Chattaraj, D R Roy, S Giri, |
475–488 | Click |
|
Reactivity descriptors and electron
density analysis for ligand chemistry: A case study of 2,2¢-bipyridine and its analogues |
Bhakti S Kulkarni, Akhilesh Tanwar
|
489–499 | Click |
| Theoretical investigation of redox species in condensed phase |
Nital Mehta and Sambhu N Datta |
501–508 | Click |
|
Metal ion binding with
dehydroannulenes – Plausible two-dimensional molecular sieves |
B Sateesh, Y Soujanya and |
509–515 | Click |
| Chiral discrimination in biomimetic systems: Phenylalanine |
K Thirumoorthy, K Soni, T Arun and
|
517–523 | Click |
|
Base pairing in RNA structures: A
computational analysis of structural aspects and interaction energies |
Purshotam Sharma, Abhijit Mitra, Sitansh Sharma and Harjinder Singh |
525–531 | Click |
| Reaction mechanism of O-acylhydroxamate with cysteine proteases |
R Shankar and P Kolandaivel |
533–544 | Click |
| Effect of electrostatic interactions on the formation of proton transfer pathways in human carbonic anhydrase II |
Arijit Roy and Srabani Taraphder |
545–552 | Click |
| Docking of B-cell epitope antigen to specific hepatitis B antibody |
R Rajkannan and E J Padma Malar |
553–558 | Click |
| On the analysis of the virulence nature of TIGR4 and R6 strains of Streptococcus pneumoniae using genome comparison tools |
R Jothi, K Manikandakumar, K Ganesan and S Parthasarathy |
559–563 | Click |
| Phenylalkylamines as calcium channel blockers |
Anamika Awasthi and Arpita Yadav |
565–570 | Click |
| In silico characterization of antifreeze proteins using computational tools and servers |
K Sivakumar, S Balaji and Gangaradhakrishnan |
571–579 | Click |