Prof. Dr. Amalendu Chandra

Profile

Academic positionFull Professor
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation
Keywordsab initio molecular dynamic, ammonia, metal-ammonia, hydrogen bonds

Current contact address

CountryIndia
CityKanpur Nagar
InstitutionIndian Institute of Technology (IIT) Kanpur
InstituteDepartment of Chemistry
Homepagehttp://home.iitk.ac.in/~amalen

Host during sponsorship

Prof. Dr. Dominik MarxLehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Bochum
Start of initial sponsorship01/05/2002

Programme(s)

2001Humboldt Research Fellowship Programme

Publications (partial selection)

2003M.-L. Tan, J. T. Fischer, Amalendu Chandra, B. R. Brooks, T. Ichiye: A Temperature of maximum density in soft sticky dipole water. In: Chem. Phys. Lett, 2003, 646-652
2003Amalendu Chandra: Dynamical behavior of anion-water and water-water hydrogen bonds in aqueous electrolyte solutions: A molecular dynamics study. In: J. Phys. Chem. B, 2003, 3899-3906
2003S. Paul, Amalendu Chandra: Dynamics of water molecules at liquid-vapour interfaces of aqueous ionic solutions: Effects of ion concentration. In: Chem. Phys. Lett., 2003, 87-93
2003A. D. Boese, Amalendu Chandra, J. M. L. Martin, D. Marx: From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia. In: J. Chem. Phys., 2003, 5965-5980
2003S. Chowdhuri, Amalendu Chandra: Hydration structure and diffusion of ions in supercooled water: Ion size effects. In: J. Chem. Phys., 2003, 9719-9725
2003S. Paul, Amalendu Chandra: Liquid-vapor interfaces of simple electrolyte solutions: Molecular dynamics results for ions in Stockmayer fluids. In: J. Phys. Chem. B, 2003, 12705
2003S. Chowdhuri, Amalendu Chandra: Pressure effects on the tracer diffusion and orientational relaxation of hydrogen bonding solutes in ambient and supercooled water. In: Chem. Phys. Lett., 2003, 79-86
2003Amalendu Chandra: Structure and Dynamics of hydrogen bonds in liquid water and aqueous solutions. In: Proc. Ind. Nat. Sci. Acad. A, 2003, 49-59
2003S. chowdhuri, Amalendu Chandra: Tracer diffusion of ionic and hydrophobic solutes in water-dimethyl sulfoxide mixtures: Effects of varying composition. In: J. Chem. Phys. , 2003, 4360-4366
2002S. Chowdhuri, Amalendu Chandra: Hydrogen bonds in aqueous electrolyte solutions: Statistics and dynamics based on both geometric and energetic criteria. In: Phys. Rev. E, 2002, 041203
2002Amalendu Chandra, S. Chowdhuri: Pressure effects on the dynamics and hydrogen bond properties of aqueous electrolyte solutions: The role of ion screening. In: J. Phys. Chem. B, 2002, 6779