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Publications by Tapta Kanchan Roy
First-Principles Anharmonic Quantum Calculations for Peptide Spectroscopy: VSCF Calculations and Comparison With Experiments
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Development of a New Variational Approach for Thermal Density Matrices
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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First-Principles Calculations of Conductance for Na Quantum Wire
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First Principles Calculations for Lithiated Manganese Oxides
Materials Research Society Symposium - Proceedings
Mechanics of Materials
Materials Science
Condensed Matter Physics
Mechanical Engineering
Kondo Effect of Cobalt Adatoms on Nanostructured Cu-O Surfaces: Scanning Tunneling Spectroscopy Experiments and First-Principles Calculations
Physical Review B
Fundamental Reaction Pathway for Peptide Metabolism by Proteasome: Insights From First-Principles Quantum Mechanical/Molecular Mechanical Free Energy Calculations
Journal of Physical Chemistry B
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First Principles Calculations and Experiments to Determine the Hydrogenation Process of Cu-Li-Mg
Materials Science Forum
Exploring Optical and Vibrational Properties of the Uranium Carbonate Andersonite With Spectroscopy and First-Principles Calculations
Electronic Properties of Y2C3by First-Principles Calculations
Journal of the Physical Society of Japan
Astronomy
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Application of First-Principles Calculations for Solid-Solution Alloys
Materia Japan
Decomposition Mechanism of Anisole on Pt(111): Combining Single-Crystal Experiments and First-Principles Calculations