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Publications in Theoretical Chemistry

Publisher’s Note: “The Role of Non-Specific Interactions in a Patchy Model of Protein Crystallization” [J. Chem. Phys. 143, 194511 (2015)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Ewald Mesh Method for Quantum Mechanical Calculations

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Introducing New Reactivity Descriptors: “Bond Reactivity Indices.” Comparison of the New Definitions and Atomic Reactivity Indices

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Multivalent Cation Induced Attraction of Anionic Polymers by Like-Charged Pores

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Intensity Oscillations in the Carbon 1s Ionization Cross Sections of 2-Butyne

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Probability Distributions of Molecular Observables Computed From Markov Models. II. Uncertainties in Observables and Their Time-Evolution

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

An Efficient and Stable Hybrid Extended Lagrangian/Self-Consistent Field Scheme for Solving Classical Mutual Induction

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

A Thermodynamic Model of Contact Angle Hysteresis

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

A Tunable Electronic Beam Splitter Realized With Crossed Graphene Nanoribbons

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Erratum: “A Molecular H2 Potential for Heterogeneous Simulations Including Polarization and Many-Body Van Der Waals Interactions” [J. Chem. Phys. 136, 194302 (2012)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

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Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Publisher’s Note: “The Role of Non-Specific Interactions in a Patchy Model of Protein Crystallization” [J. Chem. Phys. 143, 194511 (2015)]

Ewald Mesh Method for Quantum Mechanical Calculations

Introducing New Reactivity Descriptors: “Bond Reactivity Indices.” Comparison of the New Definitions and Atomic Reactivity Indices

Multivalent Cation Induced Attraction of Anionic Polymers by Like-Charged Pores

Intensity Oscillations in the Carbon 1s Ionization Cross Sections of 2-Butyne

Probability Distributions of Molecular Observables Computed From Markov Models. II. Uncertainties in Observables and Their Time-Evolution

An Efficient and Stable Hybrid Extended Lagrangian/Self-Consistent Field Scheme for Solving Classical Mutual Induction

A Thermodynamic Model of Contact Angle Hysteresis

A Tunable Electronic Beam Splitter Realized With Crossed Graphene Nanoribbons

Erratum: “A Molecular H2 Potential for Heterogeneous Simulations Including Polarization and Many-Body Van Der Waals Interactions” [J. Chem. Phys. 136, 194302 (2012)]