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Articles about Structure

The Polytope Formalism: Application to Molecular Constitution and Further Elaboration

4 days ago by Peter Canfield and Maxwell Crossley at

University of Sydney

Theoretical and Computational Chemistry, Physical Chemistry

From Crystal Structure Prediction to Polymorphic Behaviour: Monte Carlo Threshold Mapping of Crystal Energy Landscapes

6 days ago by Pedro Juan-Royo and Graeme Day at

University of Southampton

Theoretical and Computational Chemistry, Physical Chemistry

The Theory of Supramolecular Motion, the Primary Structure of Lignin and its Application to Adhesives

29 October 2025 by Kalle Lintinen and others

Theoretical and Computational Chemistry, Physical Chemistry

Disentangling the promotional roles of interfacial and alloyed sites in PtCr catalysts for CO₂ hydrogenation

28 October 2025 by Zhou Wei and others

Physical Chemistry, Catalysis

The Monte Carlo threshold algorithm applied to crystal structure prediction landscapes of polycyclic aromatic hydrocarbons

17 October 2025 by Pedro Juan-Royo and Graeme Day at

University of Southampton

Theoretical and Computational Chemistry, Physical Chemistry

Ouroboros: From linear carbons to cyclic carbons, cyclo[25]carbon and cyclo[50]carbon

16 October 2025 by Yuan Guo and others at

Tongji University

Physical Chemistry, Physical and Chemical Properties

The odd-even alkyl chain effect on the structure and optoelectronic properties of alkyl-substituted perylene diimide (PDI) derivatives at highly strained environments

15 October 2025 by Paulina Ratajczyk and others

Physical Chemistry, Physical and Chemical Properties

In-situ modified lattice and thermal expansion of a flexible molecular single crystal system governed by densification of solvent inclusion

13 October 2025 by Somnath Dey and others

Physical Chemistry, Materials Science

Rethinking the Evidence for a Liquid–Liquid Transition in Water: What Decompression Experiments Really Reveal

7 October 2025 by Rajat Kumar and others at

University of Utah

Theoretical and Computational Chemistry, Physical Chemistry

Crystallization Transition Pathways in Neutron-Irradiated Quartz: Insights from Atomistic Simulations

6 October 2025 by Takahiro Ohkubo and others

Theoretical and Computational Chemistry, Physical Chemistry

Atomistic investigation of thermophysical properties of actinide chlorides based molten salts via ab initio Molecular Dynamics and Polarizable Ion Model

29 September 2025 by Maria Chiara Notarangelo and others

Physical Chemistry, Materials Science

Phase relations between temperature induced phase transition–hysteresis and bending strain in an elastically flexible molecular crystal

23 September 2025 by Somnath Dey and others at

Forschungszentrum Jülich

Physical Chemistry, Materials Science

The Nano World of Espresso: Oil Droplets and Rigid Polymer Structures Shape the Shot

19 September 2025 by Pascal Bertsch and others at

University of Fribourg

Physical Chemistry, Agriculture and Food Chemistry

Structural and Mechanical Properties of Sodium Stearate in Glycol–Water Mixtures: Implications of Composition

18 September 2025 by Mihail Georgiev and others

Physical Chemistry, Physical and Chemical Properties

Molecular Origin of Piezoelectricity and Flexoelectricity in Flexible Crystals

16 September 2025 by Atiqur Rahman and others at

Indian Institute of Technology, Delhi

Physical Chemistry, Materials Science

TICT Caused Quenching in Organic Semiconductors

10 September 2025 by Bei Yang and others

Theoretical and Computational Chemistry, Physical Chemistry

Metal-Dependant Structural Families of Aminomethylphosphonic Acid Assemblies Differentiated by Ion Mobility Mass Spectrometry and Density Functional Theory

1 September 2025 by Olivia Rusli and others at

Vrije Universiteit Amsterdam

Theoretical and Computational Chemistry, Physical Chemistry

Higher-Level Structural Classification of Pseudomonas Cyclic Lipopeptides through Their Bioactive Conformation

28 August 2025 by Benjámin Kovács and others at

Ghent University

Theoretical and Computational Chemistry, Physical Chemistry

[3]CycloBODIPY: A Highly Strained Cyclic BODIPY Trimer with Effective Macrocyclic Conjugation

28 August 2025 by Masaki Sugino and others

Physical Chemistry, Organic Chemistry

Are Ionic and Molecular Liquids Distinct at Extreme Pressures?

13 August 2025 by Oliver Hammond and others at

Kth Royal Institute of Technology

Physical Chemistry, Physical and Chemical Processes

TICT Caused Quenching in Organic Semiconductors

11 August 2025 by Bei Yang and others at

Linköping University

Theoretical and Computational Chemistry, Physical Chemistry

If It Fits, It Sits: Solvation Shell Geometry and Water Structure Constrain Ion Positions at the Interface

7 August 2025 by Justina Helena Moss and Katharina Doblhoff-Dier at

Leiden University

Theoretical and Computational Chemistry, Physical Chemistry

Benchmarking DFT Calculations for Adsorption Studies: Pharmaceuticals and Related Organic Molecules in Cation-exchanged Zeolites

1 August 2025 by Sujon Kumar Mitro and others at

University of Bremen

Theoretical and Computational Chemistry, Physical Chemistry

Mechanisms of chiral induction to foldamer backbones

30 July 2025 by Govinda Prasad Devkota and others at

Miami University

Physical Chemistry, Organic Chemistry

LowCOST-HSQC variants for fast pulsing high \omega_1-resolved 2D-experiments

25 July 2025 by David Schulze-Sünninghausen and others at

Karlsruher Institut für Technologie

Physical Chemistry, Analytical Chemistry

Microfluidic Flow-Focusing for Size-Controlled Formation of Cubosomes

10 July 2025 by Celso Ferreira and others at

Lund University

Physical Chemistry, Nanoscience

Microfluidic Flow-Focusing for Size-Controlled Formation of Cubosomes

7 July 2025 by Celso Ferreira and others

Physical Chemistry, Nanoscience

New Molecular Geometries With Pentagonal-Pyramidal Structure

7 July 2025 by Ricardo Oliveira and others

Theoretical and Computational Chemistry, Physical Chemistry

Confirmation of pentavalent carbon in Protonated Methane (CH5+ ): Insights from Molecular Handycam Technique

3 July 2025 by Moumita Dinda and others

Physical Chemistry, Structure

The Role of Intrinsic Electric Fields and 2-His-1-Carboxylate/Chloride Facial Triads in Modulating Reactivity of the 2-Oxoglutarate Dependent Enzymes

24 June 2025 by Wyatt Gibbs and Elvira Sayfutyarova at

Pennsylvania State University

Theoretical and Computational Chemistry, Physical Chemistry

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Articles about Structure