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Publications in Theoretical Chemistry
Anharmonic Theoretical Simulations of Infrared Spectra of Halogenated Organic Compounds
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
A Coarse-Grained Model for DNA-functionalized Spherical Colloids, Revisited: Effective Pair Potential From Parallel Replica Simulations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Hydrogen Bonding and Orientation Effects on the Accommodation of Methylamine at the Air-Water Interface
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Vibrational Spectroscopy of Water in Hydrated Lipid Multi-Bilayers. II. Two-Dimensional Infrared and Peak Shift Observables Within Different Theoretical Approximations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Assessing the Utility of Structure in Amorphous Materials
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Gauge-Origin Independent Calculations of Jones Birefringence
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Electrovariable Gold Nanoparticle Films at Liquid–liquid Interfaces: From Redox Electrocatalysis to Marangoni-Shutters
Faraday Discussions
Theoretical Chemistry
Physical
Neutron Scattering Studies on Short- And Long-Range Layer Structures and Related Dynamics in Imidazolium-Based Ionic Liquids
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Erratum: “Linear and Second-Order Nonlinear Optical Properties of Ionic Organic Crystals” [J. Chem. Phys. 141, 104109 (2014)]
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
A Comparison of Surface Hopping Approaches for Capturing Metal-Molecule Electron Transfer: A Broadened Classical Master Equation Versus Independent Electron Surface Hopping
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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