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新型コロナ治療に期待「アヒガン」200万人分備蓄目指す 厚労省 (NHK)

新型インフルエンザの治療薬として政府が200万人分備蓄している「アビガン」について、厚生労働省は新型コロナウイルス感染症の治療に使う場合、1人当たりに投与する量...

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「"Christiansen O"[Author]」の検索結果

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Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide.

Systematic and variational truncation of the configuration space in the multiconfiguration time-dependent Hartree method: The MCTDH[n] hierarchy.

Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level.

Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations.

TECLA-an innovative technical approach for prostate cancer registries.

Machine learning for potential energy surfaces: An extensive database and assessment of methods.

Approximate high mode coupling potentials using Gaussian process regression and adaptive density guided sampling.

Exponential parameterization of wave functions for quantum dynamics: Time-dependent Hartree in second quantization.

Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation.

Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach.

Anharmonic vibrational spectra from double incremental potential energy and dipole surfaces.

Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations.

Accuracy of Frequencies Obtained with the Aid of Explicitly Correlated Wave Function Based Methods.

Atomic-batched tensor decomposed two-electron repulsion integrals.

Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors.

FALCON: A method for flexible adaptation of local coordinates of nuclei.

Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations.

Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states.

Hybrid Optimized and Localized Vibrational Coordinates.

Effect of levothyroxine on live birth rate in euthyroid women with recurrent miscarriage and TPO antibodies (T4-LIFE study).

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