Image de couverture de livre

A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 2: Atomic polarizabilities

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Grigorash, Daria, Müller, Simon, Heid, Esther, Neese, Frank, Liakos, Dimitrios, Riplinger, Christoph, García-Ratés, Miquel, Paricaud, Patrice, Stenby, Erling H., Smirnova, Irina, Yan, Wei
Format:	Preprint
Publié:	2025
Sujets:	Soft Condensed Matter
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 1: Halocarbons
par: Grigorash, Daria, et autres
Publié: (2024)

Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS
par: Müller, Simon, et autres
Publié: (2024)

Analytical First Derivatives of the SCF Energy for the Conductor‐Like Polarizable Continuum Model With Non‐Static Radii
par: Lukas Wittmann, et autres
Publié: (2025)

Exploring pNIPAM Lyogels: Experimental Study on Swelling Equilibria in Various Organic Solvents and Mixtures, Supported by COSMO-RS Analysis
par: Eckert, Kathrin Marina, et autres
Publié: (2024)

Thermodynamic modeling using Extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate - water system over a large range of temperatures
par: Arrad, Mouad, et autres
Publié: (2024)

Software Update: The ORCA Program System—Version 6.0
par: Frank Neese
Publié: (2025)

Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms
par: Kumar, Ashutosh, et autres
Publié: (2020)

Promoting English Literacy in Residential Environments.
par: Bailes, Cynthia Neese
Publié: (1998)

Pion polarizabilities from a dispersive analysis of $γγ\to ππ$
par: Ermolina, Viktoriia, et autres
Publié: (2024)

On the pulsations of the $δ$ Scuti star of the binary system KIC 6629588
par: Liakos, Alexios
Publié: (2021)

Asteroseismology of four eccentric double-lined spectroscopic eclipsing binaries
par: Liakos, Alexios
Publié: (2025)

The catalogue of $δ$ Sct pulsators in binary systems in 2024
par: Liakos, Alexios
Publié: (2024)

Posición obligatoria: Experiencias de violencia en la consulta ginecológica en Chile
par: Stella Salinero Rates
Publié: (2024)

El Taller de Diseño Integrado (1968-1973): una experiencia de trabajo colaborativo en la escena artística chilena
par: Stella Salinero Rates
Publié: (2014)

Nachruf: Hans‐Herbert Schmidtke
par: Mihail Atanasov, et autres
Publié: (2024)

Discovery of the novel HLA‐B*35:611 allele, a variant of the HLA‐B*35:64:01 allele
par: Maria Loginova, et autres
Publié: (2024)

Characterisation of Four Novel HLA‐B Alleles From Russian Registry
par: Maria Loginova, et autres
Publié: (2024)

Characterisation of two new HLA‐A alleles: HLA‐A*01:454 and HLA‐A*31:229
par: Maria Loginova, et autres
Publié: (2024)

Four New Null HLA Alleles Characterised From Bone Marrow Volunteers: B*18:248N, B*54:49N, C*05:303N and C*12:428N
par: Maria Loginova, et autres
Publié: (2025)

The dynamics of the fecundity of fishes, for example the roach, Rutilus rutilus (L.). [conclusions and figure/table captions only] [Translation from: Voprosy Ikhtiologii 3(1) 67-83, 1963]
par: Spanovskaya, V. D., et autres
Publié: (1978)

Predictive and Generative Deep Learning Approaches for Chemical Reactions
par: Heid, Esther
Publié: (2026)

Lebenswelt Klassenzimmer. Überlegungen zur ethnografischen Methode im Forschungsfeld Schule
par: Michaela Heid
Publié: (2005)

Posicionamento ético de acadêmicos de Enfermagem acerca das situações dilemáticas em saúde
par: Camila Maria Pereira Rates
Publié: (2010)

Caracterização de riscos em protocolos submetidos a um comitê de ética em pesquisa: análise bioética
par: Camila Maria Pereira Rates
Publié: (2014)

Conhecimento de pesquisadores acerca das normas éticas para pesquisas envolvendo humanos
par: Camila Maria Pereira Rates
Publié: (2013)

The use of films as a teaching tool for the teaching-learning process in bioethics
par: Camila Maria Pereira Rates
Publié: (2014)

A NEW SPECIES OF PENSTEMON (SCROPHULARIACEAE) FROM THE UINTA BASIN, UTAH
par: Neese, Elizabeth, et autres
Publié: (1983)

The Art of Finding the Optimal Scattering Center(s)
par: Alexander V. Kildishev, et autres
Publié: (2024)

The Art of Finding the Optimal Scattering Center(s) (Advanced Optical Materials 4/2025)
par: Alexander V. Kildishev, et autres
Publié: (2025)

Libraries in the West Bank and Gaza: Obstacles and Possibilities.
par: Erling Bergan
Publié: (2000)

Reconstituting Imagined Communities of Whiteness Through Racial Banishment: The Proposed Deportation Centre at Lindholm and the “Ghetto Law” in Denmark
par: Erling Björgvinsson
Publié: (2025)

Efficient polarizable QM/MM using the direct reaction field Hamiltonian with electrostatic potential fitted multipole operators
par: Fay, Thomas P., et autres
Publié: (2024)

Mixed Fourier norm spaces of analytic functions on the upper half-plane and Toeplitz operators
par: Avetisyan, Zhirayr, et autres
Publié: (2024)

Solvent‐Mediated Self‐Assembly and Hydrogen Bonding in Neutral Alginate: A Molecular Dynamics Study
par: Vasilii Korotenko, et autres
Publié: (2026)

Culture Morph
par: Heid, Susan D.
Publié: (2007)

Non-Hermitian excitations in nonlinear topological lattice
par: Simonian, Vlad, et autres
Publié: (2024)

Water-Wave Vortices and Skyrmions
par: Smirnova, Daria A., et autres
Publié: (2023)

Identification of eight new HLA class I alleles by next‐generation sequencing
par: Maria Loginova, et autres
Publié: (2024)

The breakdown of the direct relation between the density scaling exponent and the intermolecular interaction potential for molecular systems with purely repulsive intermolecular forces
par: Kaśkosz, Filip, et autres
Publié: (2024)

COSMO-Bench: A Benchmark for Collaborative SLAM Optimization
par: McGann, Daniel, et autres
Publié: (2025)