Martin Rahm
Showing 82 publications
Diamondiyne: A 3D carbon allotrope with mixed valence hybridization
Dinitroacetylene: Can It be Made?
Membrane-Spanning Molecular Lengths as an Agnostic Biosignature
Quantifying Atomic Volume, Partial Charge, and Electronegativity in Condensed Phases
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method
Lowering of the singlet-triplet energy gap via intramolecular exciton-exciton coupling
A Thermodynamic Landscape of Hydrogen Cyanide-Derived Molecules and Polymers
Experimental quantum chemistry and chemical reactivity (Chapter 17)
Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry
Accelerating variational quantum eigensolver convergence using parameter transfer
The electron density: a fidelity witness for quantum computation
A self-standing three-dimensional covalent organic framework film
A Density Functional Theory for the Average Electron Energy
Electronegativity at the Shock Front
Crossroads at the Origin of Prebiotic Chemical Complexity: Hydrogen Cyanide Product Diversification
Electronegativity Equilibration
A Highly Conductive All-Carbon Linked 3D Covalent Organic Framework Film
Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects
Relating atomic energy, radius and electronegativity through compression
In-Situ Electronegativity and the Bridging of Chemical Bonding Concepts
Non-Bonded Radii of the Atoms Under Compression
DBU-Catalyzed Ring-Opening and Retro-Claisen Fragmentation of Dihydropyranones
Exploring the Limits of Transition-Metal Fluorination at High Pressures
Can polarity-inverted membranes self-assemble on Titan?
Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy
ELECTRON CONFIGURATION AND ELECTRONEGATIVITY OF THE ATOMS UNDER COMPRESSION
A hypervalent and cubically coordinated molecular phase of IF8 predicted at high pressure
Nine questions on energy decomposition analysis
Generalized collision operator for fast electrons interacting with partially ionized impurities
Trifluoromethyl anion (CF3-): What we do and do not know
Difluoromethyl group, a hydrogen bond donor
Electron configuration and electronegativity of the atoms under compression
Cesium's off-the-map valence orbital
Misconceptions on fluoronium ions and hypervalent fluorine cations
Protonation of Nitramines: Where does the Proton go
Dinitramidoborates, a Fascinating Case of Competing Oxygen and Nitrogen Donors and Tautomerism
Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds
The Nucleophilicity of Persistent α-Monofluoromethide Anions.
A co-crystal between benzene and ethane: a potential evaporate material for Saturn’s moon Titan
Atomic and Ionic Radii of Elements 1-96
A Chemically Meaningful Measure of Electron Localization.
Toward an Experimental Quantum Chemistry: Exploring a New Energy Partitioning
Ammonia-(Dinitramido)boranes: High-Energy-Density Materials.
Syntheses of Diphenylaminodiazidophosphane and Diphenylaminofluoroazidophosphane
Regioselective Acetylation of Diols and Polyols by Acetate Catalysis: Mechanism and Application.
Long-Lived Trifluoromethanide Anion: A Key Intermediate in Nucleophilic Trifluoromethylations.
Synthesis and Characterization of Fluorodinitroamine, FN(NO2)2.
[BH3C(NO2)3]-: The First Room-Temperature Stable (Trinitromethyl)borate.
Quantifying the Nature of Lone Pair Domains.
Control of the ambident reactivity of the nitrite ion.
H-Bonding Activation in Highly Regioselective Acetylation of Diols.
Rocket Scientist for a Day: Investigating Alternatives for Chemical Propulsion
On the Nature of C-H⋅⋅⋅F-C Interactions in Hindered CF3-C(sp3) Bond Rotations
Experimental Detection of Trinitramide, N(NO2)3.
Design of an ammonium dinitramide compatible polymer matrix.
Kinetic Stability and Propellant Performance of Green Energetic Materials
On the Anomalous Decomposition and Reactivity of Ammonium and Potassium Dinitramide.
The anomalous solid state decomposition of ammonium dinitramide: a matter of surface polarization
Supramolecular Control in Carbohydrate Epimerization: Discovery of a New Anion Host-Guest System.
Phosphine-catalyzed disulfide metathesis.
Dinitraminic acid (HDN) isomerization and self-decomposition revisited
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Showing 7 research projects
Predicting Prebiotic Origins of Polypeptides and Solid-State Chemistry on Titan
Academic program of the IBM quantum network
Exploring Pressure for New Materials Discovery
Computational Astrobiology: The Rise of Macromolecules
Concepts and predictions for new high-pressure materials
Nya material med relevans för livets ursprung och planetforskning