- 充值
- 会员
- 职称材料
文献信息
TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included in the scope. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in papers that impact upon multiple chemical disciplines.
Density Functional TheoryPotential Energy SurfaceElectronic StructureMolecular DynamicsConfiguration InteractionPotential Energy SurfacesDensity Functional Theory CalculationsPolarizable Continuum ModelElectron DensityGeneralized Gradient ApproximationPerturbation TheoryDensity FunctionalTheoretical InvestigationVibrational FrequenciesDensity Functional CalculationsQuantum Theory of Atoms in MoleculesTransition StateQuantum ChemistrySelf-consistent FieldReaction Mechanism
TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included in the scope. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in papers that impact upon multiple chemical disciplines.