iSpartan 1.4.10

Wavefunction, Inc – Commercial – iOS
uit 12 stemmen

Laatste versie
1.4.10 Veilig te installeren

Dit is geen downloadformulier!

De UpdateStar programma database wordt bijgehouden door gebruikers, voor gebruikers.
Met uw steun kunt u helpen om de software van alle andere gebruikers actueel te houden. Vul alle velden in die onjuist of achterhaald zijn. We zullen uw bijdrage zo spoedig mogelijk controleren en beoordelen.
Wij danken u voor uw steun aan UpdateStar!

Titel:

Categorie:

Vereisten:

Android

iOS

Windows

Mac

Linux

Licentie:

Uitgever:

Uitgever URL:

Beschrijving:

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:
<ul>
<li>Conformational Analysis: Identify optimal conformers, evaluate alternative energy conformations, and visualize results through energy diagrams.</li>
<li>Utilization of MMFF force field for real-time conformational searching.</li>
<li>Property Evaluation: Access essential properties for any molecule such as chirality, molecular weight, surface area metrics, log P values, coupling constants, and geometric parameters.</li>
<li>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).</li>
<li>NMR Spectroscopy: Assign peaks in proton and carbon spectra, validate structure predictions, suggest consistent structures based on data analysis, and explore alternative structural possibilities.</li>
<li>Thermochemistry: Determine optimal tautomers or isomers, evaluate product distributions at equilibrium, and differentiate endothermic versus exothermic reactions based on accurate DFT calculations.</li>
<li>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.</li>
<li>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.</li>
</ul>

iSpartan aims to enhance productivity in chemical research through advanced molecular modeling capabilities.

Labels:

Korte beschrijving:

Geïnstalleerde versie onbekend?

Huidige versie:

Download URL:

Directe download URL:

Koop URL:

Pictogram URL:

Schermafbeelding 1 URL:

Schermafbeelding 2 URL:

Schermafbeelding 3 URL:

Schermafbeelding 4 URL:

PAD-bestand URL:

Opmerking:

Uw e-mailadres:

Nieuwsbrief:

Voer uw e-mailadres in zodat wij u kunnen bereiken indien we vragen hebben over uw bijdrage. Wij zullen uw e-mailadres nooit delen met derden.

Schermafbeeldingen (Klik om te vergroten)

Aanverwant

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.

Laatste versie
1.4.10

Veilige en gratis downloads, gecontroleerd door UpdateStar

Nu kopen
App Store

Blijf actueel
met UpdateStar freeware.

Recente beoordelingen

	HP Connection Optimizer Verbeter uw netwerkprestaties met HP Connection Optimizer
	Adobe Flash Player NPAPI Adobe Flash Player NPAPI: Essentiële software voor multimediaal surfen op het web
	AusweisApp 2 Beheer uw digitale identiteit veilig met AusweisApp 2!
	CrystalDiskInfo Houd uw harde schijf gezond met CrystalDiskInfo!
	McAfee Security Scan Plus McAfee Security Scan Plus: uitgebreide bescherming voor uw apparaat
	CPU-Z Krijg gedetailleerde informatie over uw CPU met CPU-Z van CPUID.

Meest populaire downloads

	UpdateStar Premium Edition Uw software up-to-date houden is nog nooit zo eenvoudig geweest met UpdateStar Premium Edition!
	Microsoft Visual C++ 2015 Redistributable Package Verbeter de prestaties van uw systeem met Microsoft Visual C++ 2015 Redistributable Package!
	Microsoft Edge Een nieuwe standaard in surfen op het web
	Google Chrome Snelle en veelzijdige webbrowser
	Microsoft Visual C++ 2010 Redistributable Essentieel onderdeel voor het uitvoeren van Visual C++-toepassingen
	Microsoft Update Health Tools Microsoft Update Health Tools: zorg ervoor dat uw systeem altijd up-to-date is!