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Gadre has also contributed to algorithms and codes for efficiently parallelising quantum chemical ab inito calculations. Recently he has pioneered a technique called the Molecular Tailoring Approach that seeks to calculate accurate one-electron properties for large molecules by breaking down the molecules into fragments and then combining ...
Quantum chemist, Shanti Swarup Bhatnagar laureate [51] Gopal Prasad: 1966 Mathematician H. R. Krishnamurthy: 1972 Theoretical Physicist Rajesh Gopakumar: 1992 Theoretical physicist director of International Centre for Theoretical Sciences, Bangalore and winner of Shanti Swaroop Bhatnagar Award in 2009. [52] Shridhar Ramachandra Gadre: 1978
Bioorganic chemistry 1999 Ganesh Prasad Pandey: Uttar Pradesh: Organic chemistry 1999 Deb Shankar Ray: West Bengal: Spectroscopy: 2000 Pradeep Mathur: Iran [note 4] Organometallic chemistry 2000 Sourav Pal: Maharashtra: Theoretical chemistry 2001 Uday Maitra: West Bengal: Supramolecular chemistry: 2001 Tavarekere Kalliah Chandrashekar ...
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. [1]
A fundamental physical constant occurring in quantum mechanics is the Planck constant, h. A common abbreviation is ħ = h /2 π , also known as the reduced Planck constant or Dirac constant . Quantity (common name/s)
The quantum hall effect can be used to precisely measure the conductance quantum value. It also occurs in electrochemistry reactions [5] and in association with the quantum capacitance defines the rate with which electrons are transferred between quantum chemical states as described by the quantum rate theory.
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Narasimhan, who chose physical chemistry for his research for PhD, focused on the theory of nuclear spin coupling constants during his stint at Martin Karplus' laboratory; his mentor would go on to propound the Karplus equation which describes the correlation between coupling constants and dihedral angles in proton nuclear magnetic resonance spectroscopy. [11]