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Publications in Theoretical Chemistry

Electronic Structure and Properties of Isoelectronic Magic Clusters: Al13X (X=H,Au,Li,Na,K,Rb,Cs)

Journal of Chemical Physics

Theoretical Chemistry

English

Erratum: “Electrostatic Free Energy for a Confined Nanoscale Object in a Fluid” [J. Chem. Phys. 138, 114906 (2013)]

Journal of Chemical Physics

Theoretical Chemistry

English

Exchange-Correlation Energy From Pairing Matrix Fluctuation and the Particle-Particle Random Phase Approximation

Journal of Chemical Physics

Theoretical Chemistry

English

Precise Characterisation of Isolated Molecules: General Discussion

Faraday Discussions

Theoretical Chemistry

English

The Influence of Hydrophilicity on the Orientational Dynamics and Structures of Imidazolium-Based Ionic Liquid/Water Binary Mixtures

Journal of Chemical Physics

Theoretical Chemistry

English

Evaluation of Coarse-Grained Mapping Schemes for Polysaccharide Chains in Cellulose

Journal of Chemical Physics

Theoretical Chemistry

English

Spin-Orbit Density Functional and Ab Initio Study of HgXn (X=F, Cl, Br, and I; N=1, 2, and 4)

Journal of Chemical Physics

Theoretical Chemistry

English

Chemical Reactions of Conformationally Selected 3-Aminophenol Molecules in a Beam With Coulomb-Crystallized Ca+ Ions

Journal of Chemical Physics

Theoretical Chemistry

English

Oxygen Deficient Layered Double Perovskite as an Active Cathode for CO2 Electrolysis Using a Solid Oxide Conductor

Faraday Discussions

Theoretical Chemistry

English

Sequence-Dependent Theory of Oligonucleotide Hybridization Kinetics

Journal of Chemical Physics

Theoretical Chemistry

English