Molecular Dynamics Lab
Year Index : | 2016 | 2015 | 2014 | 2013 | 2012 | 2010 - 2001 | 2000 - 1980 |
[ 2016 ]
55. Salting out of methane in the aqueous solutions of urea and sarcosine.Mayank Kumar Dixit, Anupam Chatterjee,
54. Molecular dynamics simulations of K+-Cl- ion pair in polar mixtures of acetone and water: Preferential solvation and structural studies.
Asrar A. Siddique,
[ 2015 ]
53. Molecular Dynamics Simulation of Na+-Cl- Ion-Pair in Water- Methanol Mixtures under Supercritical and Ambient Conditions.Sonanki Keshri, Atanu Sarkar and
52. Solvation structures of lithium halides in methanol-water mixtures.
Atanu Sarkar, Mayank Kumar Dixit,
51. Salting-Out of Methane in the Aqueous Solutions of Urea and Glycine-Betaine.
Mayank Kumar Dixit, Asrar A. Siddique,
50. Molecular dynamics simulations of Na+-Cl− ion-pair in supercritical methanol.
Sonanki Keshri, Atanu Sarkar,
49. Solvation structure of sodium chloride (Na+-Cl−) ion pair in dimethyl sulfoxide-acetonitrile mixtures.
Ujwala N. Patil, Sonanki Keshri,
48. Thermodynamics of Na+ Cl− ion - pair association in acetonitrile-dimethyl sulfoxide mixtures
Ujwala N. Patil, Sonanki Keshri,
47. Solvation structures of lithium halides in methanol-water mixtures.
Atanu Sarkar, Mayank Kumar Dixit,
[ 2014 ]
46. Correlation between FranckCondon Factors and Average Internulcear Separations for Diatomics Using the Fourier Grid Hamiltonian Method.Mayank Kumar Dixit, Abhishek Jain,
[ 2013 ]
45. Potentials of mean force of sodium chloride ion pair in dimethyl sulfoxide-methanol mixtures.M. K. Dixit,
44. Solvation structure and Dynamics of the magnesium chloride ion pair in water-ethanol mixtures.
Anupam Chatterjee, Mayank Kumar Dixit,
43. Preferential sovation and association constants of 2-exo and 2-endo norbornyl chlorides in water-acetone mixtures.
Abhishek Jain, Mayank Kumar Dixit,
42. Solvation structure and dynamics of potassium chloride ion pair in dimethyl sulfoxide-water mixtures.
Asrar A. Siddique, Mayank Kumar Dixit,
41. FranckCondon Factors for Diatomic: Insights and Analysis Using the Fourier Grid Hamiltonian Method.
Supriya Ghosh, Mayank Kumar Dixit, S. P. Bhattacharyya,
[ 2012 ]
40. Potentials of mean force for the exo and endo solvolysis of 2-norbornyl chloride in water and DMSO: A constrained molecular dynamics study.Subodh C Tiwari, Timir Hajari, Ashish Sharma and
[ 2010 - 2001 ]
39. Solvation Shell Dynamics of Na+ and Cl- ion pairs in selected water-DMSO mixtures.Ekadashi Pradhan and
38. Quantum oscillator in a heat bath.
P. Vallurpalli, P. K. Pandey and
37. Model dependence of solvent separated sodium chloride ion pairs in water-DMSO mixtures.
A. Asthana, A. K. Showdhury, A. K. Das and
36. Energetics of insertion of soluble proteins into membrane.
Abhishek Mathur, Anurag Sethi, Vishwanath Jogini, Yoegsh Bhargava,
[ 2000 - 1980 ]
35. Molecular dynamics simulations of sodium chloride ion pair in water DMSO mixtures: Potentials of mean force and solvation structures.Ashok K. Das and
34. The pervasive solvent separated sodium chloride ion pair in water-DMSO mixtures.
A. K. Das and
33. Structure and dynamics of the sodium chloride in water-DMSO mixtures: Friction Kernels and transmission coefficients.
A. K. Das and
32. Radial and Orientational solvation structure of the sodium chloride ion pair in dimethyl sulfoxide.
A. K. Das and
31. Dynamics of Na+-Cl-, Na+-Na+ and Cl--Cl- ion pairs in dimethyl sulphoxide : Friction kernels and transmission coefficients :
A. K. Das, M. Madhusoodanan and
30. Orientations of Fe(H2O)62+ and Fe(H2O)63+ ions at reactive separations.
C. S. Babu, M. Madhusoodanan, G. Sridhar and
29. Structure and dynamics of the Na+ - Na+, Na+ - Cl- and Cl
28. The potential of mean force of the sodium-chloride ion pair in DMSO: A constrained molecular dynamics study.
M. Madhusoodanan and
27. Non-covalent interactions
26. Molecular Structure II.
25. Molecular Structure I.
24. Molecular Dynamics Simulations on transputer networks.
A. Paithankar,
23. Temperature dependence of time - dependent friction and electric field fluctuations.
K. R. Sivaprasad, V. Prasad and
22. Cross correlation between hard and soft forces. A molecular dynamics study.
G. Sridhar, P. Vijayakumar and
21. SSOZ - HNC and SSOZ - PY integral equation studies of the structure of three site polar fluids.
M. Madhusoodanan, C. S. Babu and
20. Dynamics in superionic Li2SO4 lattice: Paddle wheel vs percolation mechanism.
S. Babu and
19. Solvation structure and dynamics of the Fe2+ - Fe3+ ion pair in water. P. Vijayakumar and
18. Molecular dynamics study of dipolar relaxation.
P. Vijayakumar and
17. Activated thermal electron transfer in polar liquids.
16. Solvent dynamics in model systems.
P. Vijayakumar and
15. Molecular dynamics study of the mechanism of superionic conduction in lithium sulphate lattices. C. S. Babu and
14. Solvent dynamics in a model system.
P. Vijayakumar and
13. Trends in the equilibrium theory of polyatomic fluids.
12. The role of solvent in stabilizing nonclassical ions.
C. S. Babu and
11. Ligand receptor interactions.
10. Perturbation theory for square - well fluids in d = 2 and 3.
9. Factors effecting the efficiency of photoinduced water -cleavage systems. General analysis and application to the reaction between O2 and the reduced electron acceptor.
T. W. Ebbesen,
8. Transient electron mobility in irradiated gases under a steady dc field.
7. Electron thermalization in gas mixtures.
6. Electron thermalization in molecular gases H2 and N2.
5. Transition phenomena in monolayers at the air/ water interfaces.
J. E. McCarthy,
4. Statistical Mechanics via the method of complementary variational principles - II. Applications to D - dimensional ionic and dipolar fluids.
3. NMR relaxation study of Al3+ - Ni2+ relaxation in aqueous solution.
M. Holz, H. L. Friedman and
2. The theory of Fe2+ - Fe3+ electron exchange in water.
1. Ion Association in model 2 - 2 electrolyte solutions.
P. J. Rossky, J. B. Dudowicz,