| 개발자: | J. Heyrovsky Institute Prague (38) | ||
| 가격: | 무료 | ||
| 순위: | 0 | ||
| 리뷰: | 0 리뷰 작성 | ||
| 목록: | 0 + 0 | ||
| 포인트: | 0 + 0 ¡ | ||
| Google Play | |||
기술
PHREEQC (authors: David L. Parkhurst, C.A.J. Appelo) is a favourite geochemical code used for speciation modelling. Our application brings the users the experience of extended capabilities due to integration of MOPAC (author: James JP Stewart), CHEMSOL (authors: Jan Florián, Arieh Warshel), XTB (authors: C. Bannwarth, E. Caldeweyher, S. Ehlert, A. Hansen, P. Pracht, J. Seibert, S. Spicher, S. Grimme, P. Shushkov, M. Stahn, H. Neugebauer, J.-M. Mewes, V. Asgeirsson, C. Bauer, J. Koopman) and DFTB+ (authors: B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Řezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu, T. Frauenheim) and other open-source codes. Any custom species not present in the built-in databases can be calculated within the app and the results used in the model (in other words, a new, specific database can be constructed in each run separately). Furthermore, the current package contains numerous non-conventional databases utilizing both experimental as well as predicted / calculated data from big databases such as CHNOSZ, ModelSEED, Alexandria library, KEGG and other literal sources.
Except from the equilibrium state, the code supports also kinetics modelling, for which the respective keyword blocks can be generated automatically based on the previous transitional state computation. As an alternative for nonaqueous systems, FastChem Cond speciation modelling is available as well. All the programs features are available offline.
Warning about the computational accuracy: MOPAC represents a reasonable compromis between power of the device/calculation time and prediction accuracy for large variety of compound types ranging from small to mid-sized molecules. However, the accuracy is limited. In order to tune the resulting energies, COSMO model from MOPAC as well as CHEMSOL solvation models are integrated, although CHEMSOL is originally intented to be used in connection with the structures and charges calculated at higher levels of theory. Therefore, all the calculated equilibrium and rate constants should be treated with caution and regarded as a rough estimate in cases when no experimental data (from the included databases) are available.
IMPORTANT !!!
Although this app is composed of open-source codes and resources, licenses for some components require the users to cite the original references when publishing the results. Please check all the licensing information under the buttons 'License' and 'About the app'.
All the users of the PHREEQC PLUS app comply by downloading, installing and using it with all the licensing conditions of the individual software components and take the responsibility for keeping them.
App source code: https://github.com/alanliska/PHREEQC-plus
Contact:
Compilation of the source code for Android as well as the Android app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.
Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm
List of used third-party software:
ACPDFVIEW, ANDROID SHELL, ARPACK, BLAS, CHEMSOL, CHIMESCALC, CPCM-X, CREST, DFTB+, DFTD4, EIGEN3, FASTCHEM Cond, GMP, GRAPHVIEW, LAPACK, LWONIOM, MBD, MCTC-LIB, MOPAC, MSTORE, MULTICHARGE, NUMSA, OPENBABEL, OPENBLAS, OPENMOPAC, OPSIN, PHREEQC, PLOTMS, PYTHON, QCXMS, S-DFTD3, STDA, TBLITE, TEST-DRIVE, TOML-F, TRANSPOSE, X11-BASIC, XTB, XTB4STDA.
More info on licenses & references - please refer to the licensing information inside of the app.
스크린샷
비디오
가격
- 오늘: 무료
- 최소: 무료
- 최대: 무료
가격 추적
개발자
- J. Heyrovsky Institute Prague
- 플랫폼: Android 앱 (38)
- 목록: 0 + 0
- 포인트: 0 + 0 ¡
- 순위: 0
- 리뷰: 0
- 할인: 0
- 동영상: 1
- RSS: 구독
포인트
0 ☹️
순위
0 ☹️
목록
0 ☹️
리뷰
첫 번째 리뷰를 남겨보세요 🌟
추가 정보
http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm당신은 또한 같은 수 있습니다
-
- PLUS Noti
- Android 앱: 도구 게시자: Plus IT Solution
- 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 0 버전: 1.0.9 PlusNoti is a payment notification service that enables the Client to get payment notification from each Payor. After successfully registering, Client s owner bank will send incoming ... ⥯
-
- PHREEQC
- Android 앱: 도구 게시자: J. Heyrovsky Institute Prague
- 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 0 버전: 1.2 PHREEQC Authors of the code: David L. Parkhurst and C.A.J. Appelo Homepage: The project homepage contains the sources, binaries (Windows, Linux, Mac OS X), documentation and lots of ... ⥯
-
- NetHome Plus
- Android 앱: 도구 게시자: NetHome Plus
- 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 1 + 43,111 (4.8) 버전: 5.34.0 NetHome Plus is one app which belongs to an Air Ecosystem (IOT system), it can be operated with Wifi module and cloud service. The cloud service is powered by AWS(Amazon Web Service), ... ⥯
-
- PLUS+1® Service Tool
- Android 앱: 도구 게시자: Danfoss A/S
- 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 17 (2.6) 버전: 1.6.1 The PLUS+1® Service Tool performs diagnostics on PLUS+1® electronic components. In PLUS+1® GUIDE you build your application with drag-and-drop logical components or software blocks in ... ⥯
-
- R Plus nutrition
- Android 앱: 도구 게시자: Recovery Plus, Inc.
- * 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 0 버전: 1.6.0 To assist you in moving towards a healthier dietary lifestyle, we offer a range of convenient features: detailed analysis of the nutritional content in packaged foods, and the ability ... ⥯
-
- Calculator Plus with History
- Android 앱: 도구 게시자: Digitalchemy, LLC
- * * 무료
- 목록: 1 + 0 순위: 5 (1) 리뷰: 0
- 포인트: 1 + 912,691 (4.9) 버전: 8.1.3 Calculator Plus is a perfect calculator for Android. Easy to use and beautifully designed calculator app with big buttons provides you with essential functionality. A free simple ... ⥯
-
- LG Smart TV Remote plus ThinQ
- Android 앱: 도구 게시자: TV Cast
- * * 무료
- 목록: 1 + 0 순위: 0 리뷰: 0
- 포인트: 3 + 141,338 (4.4) 버전: 3.0.34 Have you lost your physical LG Remote? Don't worry! With the LG Smart TV Remote plus ThinQ controlling your LG Smart TV, LG TV Plus, viewing photos, and playing videos and music from ... ⥯
-
- HA Tunnel Plus
- Android 앱: 도구 게시자: Art Of Tunnel
- * 무료
- 목록: 1 + 0 순위: 0 리뷰: 0
- 포인트: 3 + 133,118 (4.4) 버전: 1.5.6 HA Tunnel Plus uses existing connection protocols such as SSH2.0. All traffic generated between the client and the server is protected with SSH2.0. Through the application it is ... ⥯
-
- Follower Plus, Likes & Views
- Android 앱: 도구 게시자: Analyzer
- * * 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 1 + 119,485 (4.1) 버전: 21.0 Follower Plus app is helps you grow your followers, likes & post video real views, so use this app to grow your social media account safely. We are also giving you best caption & ... ⥯
-
- V3 Mobile Plus
- Android 앱: 도구 게시자: AhnLab Inc.
- * 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 179,302 (2.9) 버전: 2.5.33.6 V3 Mobile Plus provides simple and fast identity authentication service for secure mobile financial transactions. It interoperates with mobile banking, credit card, stock trading and ... ⥯
-
- Vault, App Lock: Security Plus
- Android 앱: 도구 게시자: KewlApps
- * * 무료
- 목록: 1 + 1 순위: 0 리뷰: 0
- 포인트: 0 + 16,851 (4.4) 버전: 1.11.8 Applocker & photos Vault hide photos videos is the best Android app lock with privacy guard. Fast application locker pics vault with pin, pattern knock code and fingerprint apps lock. ... ⥯
-
- Volumen Control Plus
- Android 앱: 도구 게시자: AMDROID
- 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 8,070 (3.7) 버전: 7.0 Volumen Control Plus is an application mainly for volume control on Android devices, which makes great improvements for easier settings. It is a complement to the android operating ... ⥯
-
- Hide Apps Plus
- Android 앱: 도구 게시자: The Tree Team
- * * 무료
- 목록: 0 + 0 순위: 0 리뷰: 0
- 포인트: 0 + 6,825 (3.8) 버전: 4.1 In this version PLUS, it can help you hide your applications on device with pattern lock. After hide application, you can't run it, and it can't run background (you can enable it again ⥯
-
- SuperPSX Plus (PSX Multi Emu)
- Android 앱: 도구 게시자: Super Multi Emulator
- * 무료
- 목록: 0 + 1 순위: 0 리뷰: 0
- 포인트: 1 + 5,285 (3.8) 버전: 2.8a How to play: - A game file (ROM file) is necessary to play a game. - Copy your own game files to SD card or Internal Memory. - Use uncompressed ROM to play faster. - Supports many ROM ... ⥯