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Publications in Theoretical Chemistry

Erratum: “Periodic Boundary Conditions for QM/MM Calculations: Ewald Summation for Extended Gaussian Basis Sets” [J. Chem. Phys. 139, 244108 (2013)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Shape-Selected Bimetallic Nanoparticle Electrocatalysts: Evolution of Their Atomic-Scale Structure, Chemical Composition, and Electrochemical Reactivity Under Various Chemical Environments

Faraday Discussions

Theoretical Chemistry

Physical

2013

English

Energy Transfer in Multi-Collision Environments; An Experimental Test of Theory: LiH (10;2) in H2(0;0)

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Recovery of Valuable Components and Inactivating Microorganisms in the Agro-Food Industry With Ultrasound-Assisted Supercritical Fluid Technology

Journal of Supercritical Fluids

Theoretical Chemistry

Physical

Chemical Engineering

Condensed Matter Physics

2018

English

Communication: Accurate Hydration Free Energies at a Wide Range of Temperatures From 3d-Rism

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Diffusional Motion of Redox Centers in Carbonate Electrolytes

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

The Nature of Interfaces and Charge Trapping Sites in Photocatalytic Mixed-Phase TiO2 From First Principles Modeling

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: Linear-Expansion Shooting Techniques for Accelerating Self-Consistent Field Convergence

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Uniform Electron Gases. I. Electrons on a Ring

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

An Assessment of Hydrocarbon Species in the Methanol-To-Hydrocarbon Reaction Over a ZSM-5 Catalyst

Faraday Discussions

Theoretical Chemistry

Physical

2017

English

Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Erratum: “Periodic Boundary Conditions for QM/MM Calculations: Ewald Summation for Extended Gaussian Basis Sets” [J. Chem. Phys. 139, 244108 (2013)]

Shape-Selected Bimetallic Nanoparticle Electrocatalysts: Evolution of Their Atomic-Scale Structure, Chemical Composition, and Electrochemical Reactivity Under Various Chemical Environments

Energy Transfer in Multi-Collision Environments; An Experimental Test of Theory: LiH (10;2) in H2(0;0)

Recovery of Valuable Components and Inactivating Microorganisms in the Agro-Food Industry With Ultrasound-Assisted Supercritical Fluid Technology

Communication: Accurate Hydration Free Energies at a Wide Range of Temperatures From 3d-Rism

Diffusional Motion of Redox Centers in Carbonate Electrolytes

The Nature of Interfaces and Charge Trapping Sites in Photocatalytic Mixed-Phase TiO2 From First Principles Modeling

Communication: Linear-Expansion Shooting Techniques for Accelerating Self-Consistent Field Convergence

Uniform Electron Gases. I. Electrons on a Ring

An Assessment of Hydrocarbon Species in the Methanol-To-Hydrocarbon Reaction Over a ZSM-5 Catalyst