Ocupaciones

Chemists

602 habilidades

Preguntar a IA

602 habilidades

Neqsim Physics Explanations

Physics explanations for common NeqSim results. USE WHEN: users ask 'why' about simulation results, when explaining unexpected behavior, or when adding educational context to notebooks and reports. Maps common engineering phenomena to plain-language explanations.

equinor110

Química Computacional

Chem Tools

Computational chemistry workflow guide for DeepChem, PySCF, RDKit, assay-table normalization, PDBbind-style structure datasets, QSAR and structure benchmarks, DrugBank lookup, ligand-only and structure-aware affinity prediction, ADMET triage, bioactivity prediction, virtual screening, and docking follow-up.

DrugClaw52

Química Computacional

Conservation of Mass and Balancing Equations

Balancing chemical equations, reaction classification, stoichiometric calculations, acid-base chemistry, oxidation-reduction (redox) reactions, and thermochemistry. Covers conservation of mass, mole ratios, limiting reagents, percent yield, Bronsted-Lowry and Lewis acid-base theory, pH calculations, oxidation states, half-reaction balancing, enthalpy, Hess's law, and calorimetry. Use when solving quantitative chemistry problems involving reactions, energy changes, or solution chemistry.

Tibsfox51

Computación Científica

Historical Atomic Models

Atomic theory, periodic table organization, electron configuration, periodic trends, and isotopes/radioactivity. Covers Dalton through quantum mechanical models, electron shell filling (Aufbau, Hund, Pauli), periodic law and block structure, trend prediction (electronegativity, ionization energy, atomic radius, electron affinity), isotope notation, nuclear stability, and radioactive decay modes. Use when teaching, problem-solving, or reasoning about atomic-level chemistry.

Tibsfox51

Computación Científica

States of Matter

States of matter, phase transitions, kinetic molecular theory, atmospheric chemistry, green chemistry, and sustainable synthesis. Covers solid/liquid/gas/plasma properties, phase diagrams, vapor pressure, gas laws, ozone chemistry, greenhouse effect, the 12 principles of green chemistry, atom economy, solvent selection, and catalysis for sustainability. Use when reasoning about material properties, environmental chemistry, or designing greener chemical processes.

Tibsfox51

Computación Científica

Why Carbon is Special

Carbon chemistry, functional groups, IUPAC nomenclature, isomerism, reaction mechanisms (substitution, elimination, addition), polymers, and biochemistry basics. Covers hydrocarbon classes (alkanes, alkenes, alkynes, aromatics), common functional groups (alcohols, aldehydes, ketones, carboxylic acids, esters, amines, amides), stereochemistry, condensation and addition polymerization, and the four biomolecule classes (carbohydrates, lipids, proteins, nucleic acids). Use when analyzing organic structures, predicting reaction products, or connecting chemistry to biology.

Tibsfox51

Chemists

Neqsim Physics Explanations

Chem Tools

Conservation of Mass and Balancing Equations

Historical Atomic Models

States of Matter

Why Carbon is Special

Chemists

Neqsim Physics Explanations

Chem Tools

Conservation of Mass and Balancing Equations

Historical Atomic Models

States of Matter

Why Carbon is Special

Mixtures vs. Pure Substances

Bond Type Classification

Chembl Database

Rdkit

Molecular Dynamics

Pubchem Database

Rowan: Cloud-Native Molecular-Modeling and Drug-Design Workflows

Datamol

Molfeat

Medchem

Chemist Analyst Skill

Chemical Analyst

Chemical Safety & Toxicology Assessment

Mol 2d Viewer

Md Vib Spectra Simulation

Gjf To Xyz

Chemical File Converter

Ms Spectra Simulation

Smiles To Iupac

Pdf Dft Extractor

Ir Spectra Simulation

Electronic

DFT with Quantum ESPRESSO

Relax