Computational Chemistry and Spectroscopy

Computational chemistry

Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlig...

Medicinal and Computational Chemistry Dept

Computational Chemistry and Molecular Simulation

R. P. S. Abhijith Kumar, Sagarika Dev, Brijesh Kumar Mishra and N. Sathyamurthy* Indian Institute of Science Education and Research Mohali, Sector 81, SAS Nagar, Manauli 140 306, India Department of Chemistry, Umeå University, Umeå 90187, Sweden Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016, India Present address: MCM DAV College for Women, Sector-36, Chandigarh...

Medicinal and Computational Chemistry Dept

Medicinal and Computational Chemistry Dept