iSpartan 1.4.10

iSpartan 1.4.10

Wavefunction, Inc – Commercial – iOS
12 票から
最新バージョン
1.4.10
インストールしても安全

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.

概要

iSpartan は、 Wavefunction, Incによって開発されたカテゴリ ビジネス の Commercial ソフトウェアです。

iSpartan の最新バージョン 1.4.10 2024/05/24 にリリースです。 それは最初 2024/05/24 のデータベースに追加されました。

iSpartan が次のオペレーティング システムで実行されます: iOS。

ユーザー iSpartan の 3 5 つの星からの評価を与えた。

スクリーンショット(クリックで拡大表示)

関連製品


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.

最新のアップデート


Demus: Easy Music Streaming 1.6.10

Demus: Easy Music Streaming by Simon Zvara Demus is a user-friendly music streaming application developed by Simon Zvara.

BTS Jimin Fake Call Fake Chat 1.0

The BTS Jimin Fake Call and Chat Messenger application serves as an engaging simulation game that allows users to experience interactions with BTS member Jimin along with a chat feature with fellow member V.

ebarza Furniture UAE 12.0.246

ebarza Furniture offers a unique blend of luxury and affordability, making it a noteworthy option for those seeking high-quality home decor and furnishings.

Bus Simulator 2024 : City Bus 0.4

World Wide Bus Simulator offers players an immersive experience in bus driving that spans various cities and countries. As the driver of a coach bus, users can navigate through exciting routes, manage real traffic conditions, and transport …

Athens Metro and Tram 1.9

This application provides users with convenient access to current schedules, routes, and maps for the Athens Metro and Tram. Its design facilitates usage at any time and from any location.

Street Fighting: Offline 2022 1.0

The street fighting game offers an engaging experience reminiscent of classic street fighting titles, allowing players to immerse themselves in dynamic brawls.
UpdateStar によって確認された安全で無料のダウンロード

up to date を維持する
UpdateStar フリーウェア。

最新のレビュー

U UnHackMe
UnHackMe:マルウェアに対するデジタルボディーガード
Wondershare Video Converter Ultimate Wondershare Video Converter Ultimate
Wondershare Video Converter Ultimateでビデオ体験を変革しましょう!
M Maiar
Maiar:Elrondブロックチェーンへのユーザーフレンドリーなゲートウェイ
F Football Scoreboard Pro
サッカー愛好家のための究極のパートナー
F Free Video to Tablet PC Converter
タブレット用の便利なビデオ変換が簡単に
P PeaExtractor
PeaExtractorで簡単にデータを抽出
UpdateStar Premium Edition UpdateStar Premium Edition
ソフトウェアを最新の状態に保つことは、UpdateStar Premium Edition でかつてないほど簡単になりました。
Microsoft Visual C++ 2015 Redistributable Package Microsoft Visual C++ 2015 Redistributable Package
Microsoft Visual C++ 2015再頒布可能パッケージでシステムパフォーマンスを向上させましょう!
Microsoft Edge Microsoft Edge
Webブラウジングの新しい標準
Google Chrome Google Chrome
高速で用途の広いWebブラウザ
Microsoft Visual C++ 2010 Redistributable Microsoft Visual C++ 2010 Redistributable
Visual C++ アプリケーションの実行に不可欠なコンポーネント
Microsoft Update Health Tools Microsoft Update Health Tools
Microsoft Update Health Tools:システムが常に最新であることを確認してください。