iSpartan 1.4.10

iSpartan 1.4.10

Wavefunction, Inc – Commercial – iOS
hors 12 votes
Dernière version
1.4.10
Coffre-fort à installer

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.

Vue d'ensemble

iSpartan est un logiciel de Commercial dans la catégorie Entreprise développé par Wavefunction, Inc.

La dernière version de iSpartan est 1.4.10, publié sur 24/05/2024. Au départ, il a été ajouté à notre base de données sur 24/05/2024.

iSpartan s’exécute sur les systèmes d’exploitation suivants : iOS.

Utilisateurs de iSpartan a donné une cote de 3 étoiles sur 5.

Captures d'écran (Cliquez pour agrandir)

Produits connexes


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.
Secure téléchargements gratuits et vérifiés par UpdateStar

Restez à jour
avec UpdateStar freeware.

Derniers avis

Open-Shell Open-Shell
Améliorez votre expérience Windows avec Open-Shell !
Viber Viber
Restez connecté avec l’application de messagerie Viber
uTorrent uTorrent
Torrenting simplifié avec uTorrent Final
Visual Studio Code Visual Studio Code
Puissant et polyvalent : Visual Studio Code est le meilleur ami des développeurs
SSD Fresh SSD Fresh
Maximisez la durée de vie de votre SSD avec SSD Fresh
TextPad TextPad
TextPad : un éditeur de texte polyvalent pour tous vos besoins d’écriture
UpdateStar Premium Edition UpdateStar Premium Edition
Garder votre logiciel à jour n’a jamais été aussi facile avec UpdateStar Premium Edition !
Microsoft Visual C++ 2015 Redistributable Package Microsoft Visual C++ 2015 Redistributable Package
Améliorez les performances de votre système avec le package redistribuable Microsoft Visual C++ 2015 !
Microsoft Edge Microsoft Edge
Un nouveau standard en matière de navigation sur le Web
Google Chrome Google Chrome
Navigateur Web rapide et polyvalent
Microsoft Visual C++ 2010 Redistributable Microsoft Visual C++ 2010 Redistributable
Composant essentiel pour l’exécution d’applications Visual C++
Microsoft Update Health Tools Microsoft Update Health Tools
Outils Microsoft Update Health : assurez-vous que votre système est toujours à jour !

Dernières Mises à Jour


Camtasia Studio 2025.1.2

Révolutionnez votre montage vidéo avec Camtasia Studio !

K-Lite Codec Pack Standard 18.9.7

Améliorez votre expérience multimédia avec K-Lite Codec Pack Standard !

K-Lite Codec Pack Basic 18.9.7

Améliorez votre expérience multimédia avec le pack de codecs K-Lite Basic !

K-Lite Codec Pack Full 18.9.7

Améliorez votre expérience multimédia avec le pack de codecs K-Lite complet !

K-Lite Mega Codec Pack 18.9.7

Libérez votre expérience multimédia avec le pack de codecs K-Lite Mega !

PDF24 Creator 11.26.0

Créez, convertissez et modifiez sans effort des fichiers PDF avec PDF24 Creator.