493 results on '"Pratim Kumar Chattaraj"'
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452. Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach
453. Thomas-Fermi-type method for the direct calculation of electronic densities and properties of atoms and ions
454. Electrophilicity index within a conceptual DFT framework
455. Time-dependent quantum-fluid density-functional study of high-energy proton-helium collisions
456. Chemical Reactivity and Excited-State Density Functional Theory
457. An Atom Counting QSPR Protocol
458. Acidity of meta- and para-substituted aromatic acids: a conceptual DFT study
459. First-gradient corrections in Thomas-Fermi theory
460. Nonlinear Chemical Dynamics
461. Electronic Structure Principles and Aromaticity
462. Further links between the maximum hardness principle and the hard/soft acid/base principle: insights from hard/soft exchange reactions
463. Chemical Reactivity
464. The maximum hardness principle implies the hard/soft acid/base rule
465. Variational method for determining the Fukui function and chemical hardness of an electronic system
466. Electronic Structure Principles and Atomic Shell Structure
467. Principle of maximum hardness
468. Net Electrophilicity.
469. Electrophilicity index within a conceptual DFT framework.
470. Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom.
471. Aromaticity in Polyacene Analogues of Inorganic Ring Compounds.
472. A simple group-theoretical derivation of the selection rules for rotational transitions
473. Improved Z-dependence of the ground-state energies of neutral atoms
474. Density-functional and hydrodynamical approach to ion-atom collisions through a new generalized nonlinear Schrödinger equation
475. Stability analysis of finite difference schemes for quantum mechanical equations of motion
476. How can density functional theory be excited from the ground state?
477. Quantum fluid density functional theory of time-dependent phenomena: Ion-atom collisions
478. Comments on the correlation between the Weizs�cker correction and the binding energy of diatomic molecules
479. Uncertainty corrections to the Thomas-Fermi theory
480. Scattering from a model fractal lattice of dimension less than one
481. A Possible Union of Chemical Bonding, Reactivity, and Kinetics.
482. A new form for the kinetic energy-density functional for many-electron systems
483. A pseudo-scattering technique for bound state calculations within density functional theory
484. Generalized Nonlinear Schrödinger Equations in Quantum Fluid Dynamics
485. Favorable Direction in a Chemical Reaction Through the Maximum Hardness Principle
486. Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study
487. Role of Lithium Decoration on Hydrogen Storage Potential
488. Fitness landscapes in natural rocks system evolution: A conceptual DFT treatment
489. From molecules to material via a polynitrogen precursor
490. On scattering from fractal lattices
491. Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties.
492. A Perspective on the so-called Dual Descriptor
493. Electronic Excitation Energies of Molecular Systems from the Bethe–Salpeter Equation: Example of the H2 Molecule
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