Dr. Harjinder Singh
|Design of Laser Pulses to Control
Nuclear and Electronic Motion in Molecules
Electronic Structure and Properties Calculations
Processes; Stochastic resonance
Issues of Science, Technology and Society
N V S Kumar, P Sharma, H Singh*, D Koley, S Roy, T K Chakraborty, Preferential mode of cyclization of tetrahydrofuran amino acids: Some theoretical insights, J. Phys. Org. Chem 23 (2010) 238-245; DOI 10.1002/poc.1609
S. Sharma, P. Sharma, H. Singh*, G.G. Balint-Kurti, Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theory, J. Mol. Mod. 15 (2009) 623-631.
P. Sharma, S. Sharma, A. Mitra and H. Singh*, A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs, J. Biomol. Str. Dyn. 27 (2009) 65-82.
P. Kumar, S. Sharma and H. Singh*, Optimally controlled vibrational population transfer in a diatomic quantum system, J. Theo. Comp. Chem. 8 (2009) 157-180.
H Singh*, P Sharma and A Mitra, Noncanonical Base Pairing in RNA : Topological and NBO Analysis of Hoogsteen Edge - Sugar Edge Interactions Lect. Notes in Comp. Sc. (Springer-Verlag) 5102 (2008) 379-386.
H Singh*, S Sharma, P Kumar, J Harvey and G G Balint-Kurti, Design of Optimal Laser Fields to Control Vibrational Excitations in Carboxy-myoglobin Lect. Notes in Comp. Sc. (Springer-Verlag) 5102 (2008) 387-395.
P Sharma, A Mitra, S Sharma, H Singh and D Bhattacharyya, Quantum Chemical Studies of Structures and Binding in Noncanonical RNA Base pairs: The Trans Watson-Crick:Watson-Crick Family, J. Biomol. Str. Dyn. 25 (2008) 709-732.
Madhusmita, H Singh, K Karlapalem, A Mitra, A Real Valued Genetic Algorithm for Generating Native Like Structure of Small Globular Protein Proceedings of 30th Annual International IEEE EMBS Conference, Vancouver, British Columbia, Canada, (2008) 1359-62.
S Gaur Rudra, H Singh, S Basu and U.S. Shivhare, Enthalpy entropy compensation during thermal degradation of chlorophyll in mint and coriander puree, J. Food Eng. 86 (2008) 379-387.
P Sharma, S Sharma, H Singh and A Mitra, Interaction of size expanded DNA bases with small neutral gold nanoclusters, Nanoelectronics Conference 2008. INEC 2008, 2nd IEEE International, (2008) 1083-1086.
P Sharma, H Singh, S Sharma and H Singh*, Binding of gold nanoclusters with size-expanded DNA bases: A computational study of structural and electronic properties, J. Chem . Theo. Comp.(ACS) 3 (2007) 2301-2311.
S Sharma, P Sharma and H Singh*, Quantum control of molecular vibrational excitations in a heteronuclear diatomic molecule, J. Chem. Sci. 119 (2007) 433-440.
P Kumar and H Singh*, Controlling Dynamics in diatomic systems, J. Chem. Sci. 119 (2007) 441-447.
P Sharma, A Mitra, H Singh, and S Sharma, Structures and binding in noncanonical RNA Base pairs: The Trans Watson Crick/Watson-Crick family, J. Chem. Sci. 119 (2007) 525-531.
M Sharma, P Kumar, H Singh* and T K Chakraborty, Preferential polymerization of 5(aminomethyl)- 2-furancarboxylic acid (AMFC): Electrostatic and orbital interactions studies, J. Mol. Str.: THEOCHEM 764 (2006) 109-115.
S Saini, H Singh and B Bagchi, Fluorescence energy resonance transfer in chemistry and biology: Non-Forster distance dependence of the FRET rate, J. Chem. Sci. 118 (2006) 23-35.
H Singh and B Bagchi, Non-Forster distance and orientation dependence of energy transfer and applications of fluorescence resonance energy transfer to polymers and nanoparticles: How accurate is the spectroscopic ruler with 1/R6 rule? Current Sci. (Indian Acad. Sci.), 89 (2005) 1710.-1717
H Singh*, K Arora, S Tapadar and T K Chakraborty, Preferential polymerization of 5(aminomethyl)- 2-furancarboxylic acid into a cyclic tripeptide, J. Theo. Comp. Chem. 3 (2004) 555-566.
Parveen, H Singh*, Tejvir Singh, P Bharatam and P Venugopalan, 5-hydroxycyclooctanone-hemiacetal rearrangement: quantum chemical studies, THEOCHEM: J. Mol. Str. 685 (2004) 133-139.
T K Chakraborty*, S Tapadar, T Venugopal Raju, J Annapurna and H Singh*, Cyclic trimers of chiral furan amino acids, SYNLETT (2004) No.14, 2484-2488.
Parveen, H Singh*, P Venugopalan and Tejvir Singh, Cation Dependence of Hydride transfer processes: Quantum Chemical Approach, Indian J. Chem. 43A (2004) 233-39.
V Singh, T V Singh, A Chandra, H Singh, F Singh and A Srivastava, Study of Chemical Modification Induced by 120 MeV Silicon Ions in Polypropylene, Proceedings of NUCAR, India (2003) 111-112.
P K Mankoo and H Singh*, The Photodynamics of Vision, Resonance 6 (2001#12) 68-76.
H Singh, A Simple Experiment to Study the Statistical Properties of Two or Three State Dynamics, in Probability and Statistics, eds., M Delampady, T Krishnan and S Ramasubramanian, Universities Press, Hyderabad, India, 2001.
R Rai and H Singh*, Stochastic Resonance without an external drive in a simple prey-predator model, Phys. Rev. E 62 (2000) 8804-7.
R Rai and H Singh*, Hysteresis Studies in a Noisy Auto-associative Neural Network, Phys. Rev. E 61 (2000) 968-71.
R Rai and H Singh*, Investigations on Stochastic Resonance in Isomerization Processes Using Discrete Time Maps, Indian J. Chem. Special issue on Theoretical Chemistry 39A (2000) 330-336.
R Rai and H Singh*, Stochastic Resonance in a Neuron Based Model for a Molecular System, Indian J. Chem. Special issue on Theoretical Chemistry 39A (2000) 323-329.
H Singh* and R Rai, Stochastic Resonance: Paradigm of the nineties, in Nonlinear Phenomena in Biological and Physical Sciences, eds. S K Malik, M K Chandrashekaran and N Pradhan, INSA, New Delhi, 2000.
R Rai and H Singh*, Stochastic Resonance in Maps with applications in Chemical Dynamics, in Non-Linear Dynamical Systems, eds., V Srinivasan, A K Kapoor and P K Panigrahi, Allied Publishers Ltd. Hyderabad, New Delhi, 2000.
R Rai, K Arora and H Singh*, Oscillating Chemical reactions, Chem. Edcn. Rev. 14, #3 (1999) 25-33.
R Rai and H Singh*, Hysteresis Studies in Maps, Mod. Phys. Letts. B 13 (1999) 181-192.
R Rai and H Singh*, Hysteresis Studies in Coupled Map Lattices, Mod. Phys. Letts. B 13 (1999) 809-817.
H Singh* and R Rai, Experiments with a Turing Gas: Mimicking Chemical Evolution on the Computer, J. Biosci. 37 (1998) 37-41.
P Gade, R Rai and H Singh, Stochastic Resonance in Maps and Coupled Map Lattices, Phys. Rev. E 56 (1997) 2518-26.; also arXiv:chao-dyn/9704010
Y Chen, P. Gross, V. Ramakrishna, H Rabitz, K Mease and H Singh, Control of Classical Regime Molecular Objectives; Applications of Tracking and Variations on the Theme, Automatica, 33 (1997) 1617-1633.
H Singh, A Theoretical Experiment to study the Statistical Properties of an Assembly of Molecules, Resonance, 1 (1996, #12) 49-56.
H Singh, N Sukumar and B M Deb, "Atoms" as a Complex System: One and Two Dimensional Cellular Automata Simulations; Int. J. Quantum Chem. 60 (1996) 21-28.
H Singh, S Singh and B M Deb, Lattice Gas Automata: a Tool to Explore Chemical Dynamics, Proc. Ind. Acad. Sci. (Chem. Sci.) 106 (1994) 539-51.
P Gross, H Singh, H Rabitz, K Mease and G M Huang, Inverse Quantum-mechanical control: a Means for Design and a Test for Intuition; Phys. Rev. A 47 (1993) 4593-604.
P Gross, H Singh, H Rabitz and K Mease, Inverse Control of Quantum-Mechanical Systems: some Application Studies, IEEE Conference of Decision and Control 1993, 32/2 (1993) 1930.
N Sukumar, B M Deb and H Singh, Electron Charge and Current Densities, the Geometric Phase and Cellular Automata, Z. Naturforsch, 48A (1993) 134-36.
H Singh* and R Singh, Adsorption on Fractal Surfaces; Pramana, J. Phys. 40 (1993) 201-06.
H Singh* and P K Chattaraj, Scattering from a Model Fractal Lattice of Dimension Less than One; Phys. Letts., A 128 (1988) 355-359.
H Singh* and P K Chattaraj, Scattering from Fractal Lattices, Proc. Ind. Acad. Sci. (Chem. Sci.) 99 (1987) 47-50.
H Singh, D K Dacol and H Rabitz, Atom-molecule Scattering with the Average Wavefunction Method; Chem. Phys. 115 (1987) 339-348.
H Singh and B M Deb, Current Trends in Theories of Gas-Surface Scattering; Pramana. 27 (1986) 337-361.
H Singh, D K Dacol and H Rabitz, Average wavefunction method for gas-surface scattering; J. Chem. Phys. 84 (1986) 1852-1862.
H Singh, D K Dacol and H Rabitz, Average wavefunction method for multiple scattering; J. Chem. Phys. 84 (1986) 1373-1378.
A large number of abstracts in proceedings of several National and international conferences.