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Density functional theory   New Search


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Adsorption  7 times
Mathematical optimization  5 times
Electronvolt  5 times
X-ray crystallography  4 times
Phonon  4 times
Fermi level  4 times
Electrical resistivity and conductivity  4 times
Carbon  4 times
Valence and conduction bands  3 times
Spectroscopy  3 times
Plane wave  3 times
Nitride  3 times
Molecular geometry  3 times
Magnetic moment  3 times
Hydrogen  3 times
HOMO/LUMO  3 times
Fullerene  3 times
Ferromagnetism  3 times
Exothermic process  3 times
Enthalpy  3 times
Transition metal  2 times
Thermoelectric materials  2 times
Thermal expansion  2 times
Superconductivity  2 times
Redox  2 times
Pseudopotential  2 times
Polymerization  2 times
Paramagnetism  2 times
Nuclear magnetic resonance  2 times
Molecular orbital  2 times
Ionization  2 times
Heat capacity  2 times
Hardness  2 times
Entropy  2 times
Differential scanning calorimetry  2 times
Dependent and independent variables  2 times
Cyclic voltammetry  2 times
Chemical potential  2 times
Chemical bond  2 times
Boron  2 times
Binding energy  2 times
X-ray absorption spectroscopy  1 time
Water  1 time
Vanadium  1 time
Ultraviolet  1 time
Triazine  1 time
Transmission electron microscopy  1 time
Toluene  1 time
Titanium dioxide  1 time
Thermogravimetric analysis  1 time
Thermoelectric effect  1 time
Thermal conductivity  1 time
Terahertz radiation  1 time
Sol–gel process  1 time
Solar cell  1 time
Silicon dioxide  1 time
Shear modulus  1 time
Semiconductor  1 time
Seebeck coefficient  1 time
Schiff base  1 time
Scanning transmission electron microscopy  1 time
Sandwich compound  1 time
Ruthenium  1 time
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Quantum tunnelling  1 time
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Quantum chemistry  1 time
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Properties of water  1 time
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Cobalt  1 time
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Calcium  1 time
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Angular momentum coupling  1 time
Anatase  1 time
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Algorithm  1 time
Acid  1 time

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