1.4.10 Säkert att installera
iSpartan is a versatile tool for molecular modeling available on iPad, iPhone, and iPod Touch devices. The application offers chemists quick and easy access to computational methods that have demonstrated reliability across a broad spectrum of molecules.
Molecular structures are crafted through two-dimensional sketching, mirroring the traditional process of drawing on paper. iSpartan automatically converts these sketches into detailed three-dimensional structures. Users can calculate low-energy conformations and analyze their geometries efficiently. Additionally, there is a database of 5,000 molecules sourced from the Spartan Spectra and Properties Database (SSPD) that provides access to NMR and IR spectra, molecular orbitals, electrostatic potential maps, and various other atomic and molecular properties. This repository allows users to search for specific substructures.
Key Features of iSpartan:
- Conformational Analysis: Identify optimal conformers, evaluate alternative energy conformations, and visualize results through energy diagrams.
- Utilization of MMFF force field for real-time conformational searching.
- Property Evaluation: Access essential properties for any molecule such as chirality, molecular weight, surface area metrics, log P values, coupling constants, and geometric parameters.
- Quantum Mechanics Calculations: Perform quantum chemistry calculations for common organic molecules using the Spartan Parallel Suite program (requires separate installation), enabling access to the complete SSPD (> 250,000 molecules).
- NMR Spectroscopy: Assign peaks in proton and carbon spectra, validate structure predictions, suggest consistent structures based on data analysis, and explore alternative structural possibilities.
- Thermochemistry: Determine optimal tautomers or isomers, evaluate product distributions at equilibrium, and differentiate endothermic versus exothermic reactions based on accurate DFT calculations.
- Infrared Spectroscopy: Assign absorption bands to functional groups, animate molecular vibrations associated with absorption bands, and present realistic spectra with regards to temperature effects using DFT calculations.
- Molecular Orbitals & Electrostatic Potential Maps: Analyze frontier orbitals for predicting reactivity and utilize electrostatic potential maps to evaluate selectivity, reactivity patterns, acid strength, and hydrophobicity/hydrophilicity distinctions.
iSpartan aims to enhance productivity in chemical research through advanced molecular modeling capabilities.
Översikt
iSpartan är en Commercial programvara i den kategorin Företag utvecklats av Wavefunction, Inc.
Den senaste versionen av iSpartan är 1.4.10, släppt på 2024-05-24. Det lades ursprungligen till vår databas på 2024-05-24.
iSpartan körs på följande operativsystem: iOS.
Användare av iSpartan gav det betyget 3 av 5 stjärnor.
Relaterade produkter
Acadly Here - Auto Attendance
Acadly Here is a mesh-network technology-powered attendance automation app that facilitates proximity-based connections without GPS usage, designed for streamlined attendance management.ChemE Calculator
ChemE Calculator is a versatile tool designed for performing VLE and steam table calculations as well as unit conversions on your iPhone or iPad.Count Me In
Unlike manual clickers and basic digital counters, the Count Me in app provides a real-time, precise count of the number of individuals currently present in your store.Graphity
Graphity by SoftCore Studio is a software product designed to facilitate the creation and modification of graphs and charts.KnowledgeBase Builder
The InfoRapid KnowledgeBase Builder is a valuable tool for Knowledge Management purposes. It allows users to store text documents and web pages while preserving all formatting and links within their knowledge base.Outliner for iPad
This version of Outliner is tailored specifically for iPad users. It's worth noting that Outliner is now available as a Universal app. Therefore, new users are encouraged to opt for the latest version for a more comprehensive experience.RPN 28x Calc
RPN 28x Calc is a programmable scientific calculator featuring a classic design, offering a modern and user-friendly experience where operands can be interacted with via the display's touch capabilities.The Expressions Calculator
ExpressionsCalculator is a versatile scientific calculator that caters to a broad spectrum of users ranging from those requiring basic calculations to the more complex needs of advanced users.Senaste uppdateringar
pdfMachine White 20.40
pdfMachine White is a free, but significantly reduced edition of the PDF document creation tool, which is available as a virtual printer.QR-Code Generator 5.5.3
QR-Code Generator by QR-Code Generator is a software application designed to create QR codes. This tool allows users to generate QR codes for a variety of purposes, such as business cards, marketing materials, and website URLs.Steam 2025-04-28
Revolutionerar spelindustrin: Steam ger dig oändlig underhållning till handsFastStone Image Viewer 8.0
FastStone Image Viewer: En mångsidig och snabb programvara för bildvisning.AVG AntiVirus FREE 25.4.10086
Aldrig förr har någon produkt gett dig så många säkerhetsfunktioner, helt kostnadsfritt, som du får från AVG AntiVirus FREE 2014 .Avast Free Antivirus 25.4.10086
Förstklassigt skydd för dina enheter med avast! Gratis antivirus!App Store
med UpdateStar freeware.
Senaste nyheterna
Senaste recensionerna
AutoFTP Client
Sömlösa filöverföringar med AutoFTP-klient |
|
Aiseesoft Mac PDF Converter Ultimate
Förvandla din PDF-upplevelse med Aiseesoft Mac PDF Converter Ultimate |
|
![]() |
Recordify
Konvertera enkelt strömmande musik till MP3 med Recordify av Abelssoft |
VCE Exam Simulator
Ace dina prov med VCE Exam Simulator av Avanset |
|
![]() |
Output Messenger
Effektivisera din teamkommunikation med Output Messenger |
![]() |
Duplicate Photo Finder
Eliminera enkelt överflödiga bilder med Duplicate Photo Finder |
![]() |
UpdateStar Premium Edition
Att hålla din programvara uppdaterad har aldrig varit enklare med UpdateStar Premium Edition! |
![]() |
Microsoft Visual C++ 2015 Redistributable Package
Öka din systemprestanda med Microsoft Visual C++ 2015 Redistributable Package! |
![]() |
Microsoft Edge
En ny standard för webbsurfning |
![]() |
Google Chrome
Snabb och mångsidig webbläsare |
![]() |
Microsoft Visual C++ 2010 Redistributable
Viktig komponent för att köra Visual C++-applikationer |
![]() |
Microsoft Update Health Tools
Microsoft Update Health Tools: Se till att ditt system alltid är uppdaterat! |