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Currently displaying results 1 to 10 of 14 for your search: Madhusudan

Journal: Journal of Computational Chemistry

  • 14 June 2010
  • Author: Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki

This distinguished journal publishes articles concerned with all aspects of computational chemistry: analytical, biological,inorganic, organic and phy...

thumbnail image: Journal of Computational Chemistry

Magazine: Two Quantum Chemists Win Sanibel Symposium Awards

  • 14 March 2012
  • Author: Madhusudan Singh

Sanibel Symposium organizers and the International Journal of Quantum Chemistry award two young quantum chemists

thumbnail image: Two Quantum Chemists Win Sanibel Symposium Awards

Magazine: Enzyme Scaffolds from Fish Eye Lenses

  • 01 May 2015
  • Author: ChemPlusChem

Crystallin protein nanofibrils (CPNFs) from fish eye lenses serve as nano-bioscaffolds for immobilizing enzymes

thumbnail image: Enzyme Scaffolds from Fish Eye Lenses

News: Can We Trust Docking Results?

  • 19 September 2011
  • Author: Madhusudan Singh

Evaluation of seven commonly used programs on protein docking databases

thumbnail image: Can We Trust Docking Results

News: Effect of the Damping Function in DFT-D

  • 10 October 2011
  • Author: Madhusudan Singh

Damping function shows closer connection to reality than traditional zero damping method in density functional theory (DFT) calculations

thumbnail image: Effect of the Damping Function in DFT-D

News: Quantum Mechanical Spatial Dimensions for Biomolecules

  • 10 February 2012
  • Author: Madhusudan Singh

Size of the QM region affects active site in quantum-mechanical molecular-mechanical molecular dynamics study of biomolecules

thumbnail image: Quantum Mechanical Spatial Dimensions for Biomolecules

News: Best Theoretical Methods for Molecular Structures

  • 02 May 2012
  • Author: Madhusudan Singh

Comparison of different computational methods to find the best theoretical methods for discovering large molecular structures

thumbnail image: Best Theoretical Methods for Molecular Structures

News: Choosing the Right Basis Set

  • 05 December 2012
  • Author: Madhusudan Singh, Mattteo Cavalleri

The right choice of the basis set in quantum chemical calculations has a huge impact on the quality of the results 

thumbnail image: Choosing the Right Basis Set

News: What is the Right TD-DFT Functional?

  • 11 May 2013
  • Author: Madhusudan Singh, Matteo Cavalleri

The choice of exchange correlation function in time-dependent density functional theory (TD-DFT) has a great impact on accuracy

thumbnail image: What is the Right TD-DFT Functional

News: Sanibel Symposium

  • 23 November 2011
  • Author: Madhusudan Singh

One of the oldest meetings in Quantum Chemistry, proceedings published in the International Journal of Quantum Chemistry

thumbnail image: Sanibel Symposium
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