Physical Chemistry Chemical Physics

Expanded ensemble predictions of toluene-water partition coefficients in the SAMPL9 log P challenge.

Characterisation of the electronic ground states of BaH(+) and BaD(+) by high-resolution photoelectron spectroscopy.

Is there a future for (43)Ca nuclear magnetic resonance in cement science?

Hydration of biologically relevant tetramethylammonium cation by neutron scattering and molecular dynamics.

Exploring tunneling ESEEM beyond methyl groups in nitroxides at low temperatures.

A unified surface tension model for multi-component salt, organic, and surfactant solutions.

Addressing electronic and dynamical evolution of molecules and molecular clusters: DFTB simulations of energy relaxation in polycyclic aromatic hydrocarbons.

探讨分子和分子簇的电子和动力学演化：多环芳烃能量弛豫的 DFTB 模拟

Tracking protein-protein interactions by NMR: conformational selection in human steroidogenic cytochrome P450 CYP17A1 induced by cytochrome b5

通过 NMR 跟踪蛋白质-蛋白质相互作用：由细胞色素 b5 诱导的人类类固醇生成细胞色素 P450 CYP17A1 的构象选择

Coordination of dissolved transition metals in pristine battery electrolyte solutions determined by NMR and EPR spectroscopy

通过 NMR 和 EPR 光谱确定原始电池电解质溶液中溶解过渡金属的配位

AsymPol-TEKs as efficient polarizing agents for MAS-DNP in glass matrices of non-aqueous solvents

AsymPol-TEK 作为非水溶剂玻璃基质中 MAS-DNP 的有效极化剂