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1
المؤلفون: R. Rajesh, S. Muthu, N.R. Sheela
المصدر: Polycyclic Aromatic Compounds. :1-18
مصطلحات موضوعية: Polymers and Plastics, Organic Chemistry, Materials Chemistry
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2
المؤلفون: Br. Raajaraman, N.R. Sheela, S. Muthu
المصدر: Chemical Papers. 75:3931-3948
مصطلحات موضوعية: Chemistry, General Chemical Engineering, Binding energy, Frontier molecular orbital theory, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Energy minimization, 01 natural sciences, Biochemistry, Industrial and Manufacturing Engineering, Molecular electronic transition, 0104 chemical sciences, Computational chemistry, Materials Chemistry, Density functional theory, 0210 nano-technology, HOMO/LUMO, Fukui function, Natural bond orbital
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3
المؤلفون: P. Rajeswaran, A. Alfind Paul Frit, R. Rajesh, B. Vijayakumar, Pradeep Katta, N.R. Sheela, S. Muthu
المصدر: Journal of the Indian Chemical Society. 100:100868
مصطلحات موضوعية: Inorganic Chemistry, Organic Chemistry, Drug Discovery, Electrochemistry, Physical and Theoretical Chemistry
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4
المؤلفون: S. Muthu, N.R. Sheela, Br. Raajaraman
المصدر: Journal of Molecular Structure. 1188:99-109
مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Oscillator strength, Organic Chemistry, Hyperpolarizability, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, Molecular geometry, Computational chemistry, Molecule, Density functional theory, Macromolecular docking, Spectroscopy, Basis set, Natural bond orbital
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5
المؤلفون: S. Muthu, N.R. Sheela, Br. Raajaraman
المصدر: Journal of Molecular Structure. 1173:583-595
مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Organic Chemistry, Hyperpolarizability, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, Bond length, Molecular geometry, Physical chemistry, Molecule, Density functional theory, HOMO/LUMO, Spectroscopy, Fukui function, Natural bond orbital
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6
المؤلفون: S. Muthu, N.R. Sheela, Br. Raajaraman
المصدر: Computational biology and chemistry. 82
مصطلحات موضوعية: 0301 basic medicine, Chemistry, Organic Chemistry, Intermolecular force, Atoms in molecules, Biochemistry, 03 medical and health sciences, Computational Mathematics, 030104 developmental biology, 0302 clinical medicine, Structural Biology, Computational chemistry, 030220 oncology & carcinogenesis, Molecular vibration, Molecule, Density functional theory, Physics::Chemical Physics, Basis set, Fukui function, Natural bond orbital
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7
المؤلفون: S. Muthu, M. Thirumalai Kumar, N.R. Sheela, S. Sampathkrishnan
المصدر: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 112:62-77
مصطلحات موضوعية: Models, Molecular, chemistry.chemical_classification, Hyperpolarizability, Spectrum Analysis, Raman, Atomic and Molecular Physics, and Optics, Analytical Chemistry, Nitrone, Molecular geometry, chemistry, Computational chemistry, Polarizability, Spectroscopy, Fourier Transform Infrared, Quantum Theory, Physical chemistry, Nitrogen Oxides, Ground state, Instrumentation, HOMO/LUMO, Spectroscopy, Fukui function, Natural bond orbital
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8
المؤلفون: M. Thirumalai Kumar, S. Sampathkrishnan, S. Muthu, N.R. Sheela
المصدر: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 109:272-281
مصطلحات موضوعية: Models, Molecular, chemistry.chemical_classification, Oscillator strength, Molecular Conformation, Hyperpolarizability, Hydrogen Bonding, Spectrum Analysis, Raman, Atomic and Molecular Physics, and Optics, Analytical Chemistry, Hybrid functional, Nitrone, Molecular geometry, chemistry, Computational chemistry, Spectroscopy, Fourier Transform Infrared, Quantum Theory, Physical chemistry, Nitrogen Oxides, Spectrophotometry, Ultraviolet, Density functional theory, Instrumentation, HOMO/LUMO, Spectroscopy, Natural bond orbital
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9
المؤلفون: S. Muthu, S. Sampathkrishnan, N.R. Sheela
المصدر: Molecular Simulation. 37:1276-1288
مصطلحات موضوعية: Chemistry, General Chemical Engineering, Ab initio, General Chemistry, Condensed Matter Physics, Molecular physics, Potential energy, Hybrid functional, symbols.namesake, Fourier transform, Modeling and Simulation, symbols, General Materials Science, Density functional theory, Physics::Chemical Physics, Fourier transform infrared spectroscopy, HOMO/LUMO, Raman scattering, Information Systems
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10
المؤلفون: Abdulaziz A. Al-Saadi, S. Sampathkrishnan, S. Muthu, N.R. Sheela
المصدر: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 139
مصطلحات موضوعية: Models, Molecular, Optical Phenomena, Static Electricity, Analytical chemistry, Molecular Conformation, Hyperpolarizability, Electrons, Spectrum Analysis, Raman, Molecular physics, Vibration, Clonidine, Analytical Chemistry, symbols.namesake, Spectroscopy, Fourier Transform Infrared, Physics::Atomic and Molecular Clusters, Molecular orbital, Physics::Chemical Physics, Fourier transform infrared spectroscopy, Instrumentation, Spectroscopy, Basis set, Chemistry, Atomic and Molecular Physics, and Optics, Electric dipole moment, Fourier transform, Nonlinear Dynamics, symbols, Quantum Theory, Thermodynamics, Density functional theory, Natural bond orbital