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Publications in Theoretical Chemistry

Fabrication of NiS Modified CdS Nanorod P–n Junction Photocatalysts With Enhanced Visible-Light Photocatalytic H2-Production Activity

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Microscopic Origin of the Scattering Pre-Peak in Aqueous Propylamine Mixtures: X-Ray and Neutron Experiments Versus Simulations

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

Correction: Core-Excited and Shape Resonances of Uracil

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

High-Resolution Two-Field Nuclear Magnetic Resonance Spectroscopy

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Near Dissociation States for H+2–He on MRCI and FCI Potential Energy Surfaces

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

Unravelling the Role of Quantum Interference in the Weak-Field Laser Phase Modulation Control of Photofragment Distributions

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Unravelling the Hydrophobicity of Urea in Water Using Thermodiffusion: Implications for Protein Denaturation

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Stability of Melamine-Exfoliated Graphene in Aqueous Media: Quantum-Mechanical Insights at the Nanoscale

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Stability of 2′,3′ and 3′,5′ Cyclic Nucleotides in Formamide and in Water: A Theoretical Insight Into the Factors Controlling the Accumulation of Nucleic Acid Building Blocks in a Prebiotic Pool

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Simple Cathode Design for Li–S Batteries: Cell Performance and Mechanistic Insights by in Operando X-Ray Diffraction

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

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