Senin, 02 Januari 2012

Chemical Excelets

Interactive Excel Spreadsheets

for General Chemistry

Excelets sendiri merupakan simulasi pemodelan matematika yang mengunakan aplikasi spreadsheet excel (bisa juga diterapkan untuk openoffice.org). Jadi Chemical Excelets adalah excelets yang dibuat untuk perhitungan matematis untuk kimia (dalam hal ini adalah kimia umum) untuk kimia yang lebih spesfik kita bisa menelusuri pranala yang diberikan pada web yang memberikan Chemical Excelet itu.


Untuk bisa menggunakan Chemical Excelets pada komputer yang kita pakai harus terinstall aplikasi spreadsheet (misalnya microsoft office excel dan openoffice spreadsheet). Selanjutkan kita tinggal membuka file yang khusus digunakan untuk perhitungan kimia tertentu.

Di web Chemical Excelets tersedia banyak sekali file-file dengan format *.XLS untuk bisa digunakan dalam membantu perhitungan kimia tepatnya kimia umum, boleh juga digunakan untuk pembelajaran kimia SMA. Menurut saya aplikasi yang tersedia lebih dari cukup kalau untuk digunakan di SMA. Guru bisa melakukan modifikasi soal bahasa sehingga siswa bisa memanfaatkannya.

Meskipun Chemical Excel sangat membantu dalam pembelajaran tapi tetap harus diingatkan bahwa pengguna juga harus paham dalam konsep berhitung pada pokok bahasan di kimia. Ini semacam penggunaan kalkulator, siswa harus tahu lebih dulu konsep berhitung baru boleh menggunakan kalkulator untuk memperlancar pembelajaran materi berikutnya.

Pada Chemical Excelets tersebut setiap “kalkulator”nya sudah disediakan hand out yang bisa memandu kita bagaimana menggunakan alat tersebut secara benar dan efektif.

Kalau tertarik anda boleh mengunjungi web ini untuk mendownlaod Chemical Excelets dan mendownloadnya satu persatu sesuai kebutuhan. Atau kalau masih aktif silahkan unduh dari link Ziddu Download Chemical Excelets. Gratis.


How do I interact with the spreadsheet?
Interaktivitas pada spreadsheet terjadi sebagai sel dengan latar belakang kuning, di mana jumlah dapat dimasukkan dengan mengetikkan nilai, atau slider, di mana satu dapat drag bar pusat atau klik pada panah terminal, yang berubah. Demikian juga,pemintal bekerja dengan mengklik tanda panah. Anda juga dapat melihat kotak centang atau tombol opsi yang melakukan tugas ditunjukkan. Tanggapan akan terjadi pada grafik dan / atau datadengan menyesuaikan salah satu item. Kotak daftar juga digunakan untuk memilih informasi. Komentar sel (segitiga merah di pojok kanan atas) yang digunakan untuk memberikaninformasi serta.


The Collection
Berikut adalah berbagai Excelets (tahan kursor di atas link untuk penjelasan singkat) dan beberapa handout pdf untuk topik dalam Kimia Umum, termasuk laboratorium. Beberapa ini adalah alat bantu perhitungan sederhana, sementara yang lainmengeksplorasi konsep-konsep matematika dengan membawahidup. Sejumlah Excelets lebih baru, ditandai dengan *mempertimbangkan pengaruh kesalahan acak dan / atausistematis. (Catatan - Dalam Excel, Anda mungkin perlu mengubah ukuran spreadsheet ini untuk menyesuaikan layar Anda dengan pergi ke View pada menu bar dan memilih Zoom.)



Excelets (Javaless Applets)
(For best results - right click and then select Save Target As... to download, then open directly in Excel)
The Temperature Scales on Thermometers: How are they related?   (handout) Interactive Periodic Trends  (handout)  (prelab)
Bond Energy Calculator   (handout) Dissolving an ionic compound - endothermic or exothermic process?
Welcome to the Calorie Calculator Potential Energy Diagram   (handout)
The Ideal Gas Law*  (handout) Arrhenius Equation
P-V II - The Tubing Error* Initial Rates
Boyle's Law Simulator(article)
(article describes error analysis)
How is the rate influenced when you double the concentration for a variety of orders?
P-V-T Surface Plot How do the coefficients in the reaction influence the rate?
Velocity of Gas Particles Chemical Kinetics Simulator  (handout)
Generating Atomic Line Spectra An Interactive Graphical Approach to Chemical Kinetics
DNA and Thermal Denaturation Transforming Chemical Kinetics Data to Determine Reaction Order
Mixing Colored Solutions - How does the absorption spectrum behave? Chemical Equilibrium: The Kinetics of Reversible Reactions
Spectrophotometric Determination of an Acid-Base Indicator Constant* Using "Solver" to Solve Equilibrium Calculations
 What is an autocatalyzed reaction? Examining the Formation of a Complex Ion: Ag(NH3)2+
Exploring an Oscillating Chemical Reaction Kinetics of Optical Isomer Conversion   (handout)
Scatter Plot for measurement variation Kinetics of Multi-step Reactions   (handout)
Quadratic Equation root finder and graph PE Diagrams for Consecutive and Competing Reactions
The Basics of Spectrophotometric Measurements Homogeneous Catalysis
Beer's Law Simulator   (handout) The Le Chatelier Meter
Thinking with Beer The Behavior of Weak Acids
Single-point Calibration and Its Error Calculating the pH of the strong acids
Beer's Law Simulator II:  Exploring Errors*
(handout)
The Five Percent Rule
When Beer Spoils  ICE Chart Calculations for Acid-Base Equilibria 
Exploring the Kinetics of the Crystal Violet/Hydroxide Reaction Chlorination of Natural Waters
Bromocresol Green Discovering Buffers
 Vapor Pressure Curve of Water Reacting a strong acid or base with a buffer
When are dissolved oxygen levels in natural water higher? Buffer Selection
What happens to the vapor pressure of a solvent as solute is added? Behavior of Weak Acids Using Distribution Diagrams   (handout for monoprotic acids)
Exploring Osmotic Pressure Buffer Capacity
Diffusion - a moving molecular process Exploring Acid-Base Titration Curves
Predicting if a Chemical Reaction is Spontaneous Tracking an Acid-Base Titration
Discovering Faraday's Law of Electrolysis What is an isotope?
Comparison of Total Dissolved Solids (TDS) Methods The Chemical Elements and Their Stable Isotopes
Energy Profiles for Internal Rotation Exploring Radioactive Decay Kinetics*   (handout)
Fe(SCN)++ equilibrium constant  (experiment) Effective Half-life
Estimating the Wave Number (Energy) of IR Stretching Vibrations   (experiment)  The Kinetics of Enzyme Reactions*  (activity)
Exploring Error in the Water Hardness Determination  by EDTA Titration* (experiment) The Kinetics of Enzyme Reactions II:  Exploring Enzymes with Multiple Subunits and Reactive Sites
 Analysis of a Sand and Gravel Mixture* (experiment Enzyme Kinetics (simple intro.)
 Standard Additions  Properties of Alkyl Halides
Radiometric Dating  (article) (activity)
(article describes parent-daughter dating, assumptions, and error analysis)
Dilution
Radiometric Dating II:  Assumptions and Error Analysis Radiocarbon Dating (activity)


Other good sites for chemists:

Interactive Spreadsheet Demonstrations for Introductory, Inorganic, Analytical, and Physical Chemistry (new URL)
Spreadsheet Simulations for Analytical and Physical Chemistry (new URL)

Interactive Spreadsheets in JCE WebWare

Sabtu, 31 Desember 2011

Membuat Linux Live USB Dengan Unetbootin


Apabila anda ingin mencoba Linux versi yang baru dengan cara upgrade atau ingin mencoba distro Linux lain, lebih baik anda jajal terlebih dahulu dengan menggunakannya secara live, baik lewat CD atau USB flashdisk, agar anda tahu kelebihan apa saja yang ada dalam paket Linux tersebut.
Pada bahasan kali ini saya akan membahas bagaimana cara membuat Linux live USB dengan menggunakan Unetbootin pada Linux Ubuntu, mungkin bagi anda yang sudah mengerti anda bisa melanjutkan membaca artikel saya yang lain, bagi yang belum mari teruskan membaca.
Berikut langkah-langkahnya:
1. Download Unetbootin melalui System – Adminstration – Synaptic Package Manager atau melalui Applications – Acccessories – Terminal, anda bisa pilih salah satu, di sini penulis melakukan installasi menggunakan terminal
2. Jalankan perintah
    sudo apt-get install unetbootin
3. Setelah selesai anda buka Unetbootin melalui Applications – System Tools – Unetbootin
4. Di sini anda pilih distro dan versi Linux yang sesuai ada pada anda, lokasi file image/iso distro Linux, dan media yang ingin anda jadikan live USB, lalu pilih OK

5. Tunggu sampai proses selesai
6. Restart komputer anda, dan ubah first boot pada BIOS anda menjadi USB

Sumber : http://www.asus87.com/2011/05/membuat-linux-live-usb-dengan-unetbootin/

Jumat, 30 Desember 2011

Hyperchem 7.5 with Crack & Serial Number



Hyperchem, merupakan tools dasar dalam molecular modeling. Software ini dapat digunakan untuk menggambar struktur kimia, optimasi geometri dengan berbagai macam metode, study molecular dinamik dasar, study QSAR, dll

Untuk panduan Hyperchem, dapat dibaca dimenu Help pada software ini. Aplikasi QSAR dengan Hyperchem akan dibahas lebih lanjut pada pembahsan yang lain.

HyperChem ialah suatu program simulasi dan pemodelan molekular yang memung-kinkan perhitungan kimiawi yang kompleks. HyperChem mencakup fungsi-fungsi berikut:
  • Membuat sketsa dwimatra (2D) molekul dari atom-atom penyusunnya, lalu mengubahnya menjadi model trimatra (3D) dengan HyperChem Model Builder.
  • Memilih residu-residu standar secara berurutan dari perpustakaan asam amino dan nukleotida HyperChem/Lite untuk membangun protein dan asam nukleat.
  • Membaca tipe atom dan koordinat molekular yang telah disimpan sebagai arsip HIN (masukan HyperChem yang dibuat sebelumnya) atau arsip ENT (mengambil dari sumber lain, yaitu Brookhaven Protein Data Bank/PDB)
  • Menata kembali molekul, misalnya dengan memutar atau menggesernya.
  • Mengubah kondisi tampilan, termasuk penampakan ruang, model molekul, dan label struktural.
  • Merancang dan melakukan perhitungan kimiawi, termasuk dinamika molekular. 
  • Tersedia berbagai metode mekanika molekular maupun mekanika kuantum (semiempiris atau ab initio). Perhitungan mekanika molekular menggunakan medan gaya MM+, AM-BER, BIO+, atau OPLS, sedangkan mekanika kuantum semiempiris meliputi extended Hückel, CNDO, INDO, MINDO3, MNDO, AM1, PM3, ZINDO/I, dan ZINDO/S.
  • Penetapan efek isotop dalam perhitungan analisis vibrasional untuk metode-metode SCF ab initio dan semiempiris.
  • Membuat grafik Excel dari hasil perhitungan kimiawi.
  • Mensolvasikan molekul dalam kotak periodik.
Download Hyperchem 7.5 with Crack & Serial Number

Sumber : http://www.faikshare.com/2010/12/hyperchem-75-crack-serial-number.html

Jmol: an open-source Java viewer for chemical structures in 3D Jmol icon with features for chemicals, crystals, materials and biomolecules

Jmol is an interactive web browser applet.

This is a still image, but you can get an animated display of Jmol abilities by clicking here.

(The applet may take some seconds to load. Please, wait and do not reload the page in the meantime.)

The latest stable version is Jmol 12.2
Overview
How to cite Jmol
What Jmol can do
     Samples
     Features
     What the critics are saying
Obtain Jmol
Learn to use Jmol
     Manuals and tutorials
     Learn by example
     Jmol community

Overview

Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems.

  • The JmolApplet is a web browser applet that can be integrated into web pages.
  • The Jmol application is a standalone Java application that runs on the desktop.
  • The JmolViewer is a development tool kit that can be integrated into other Java applications.

How to cite Jmol

The recommended way to cite Jmol is:
Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/

Remember to always use uppercase 'J', lowercase 'mol' (explanation).

If you prefer, a list of articles that describe Jmol can be found in the Jmol Literature section of the Jmol Wiki.

What Jmol can do

Samples

Check out the Screenshot Gallery (still images) to see samples of what can be done with Jmol
and the Demonstration pages to see buttons and menus in action (interactive applet).

Features

  • Free, open-source software licensed under the GNU Lesser General Public License
  • Applet, Application, and Systems Integration Component
    • The JmolApplet is a web browser applet that can be integrated into web pages. It is ideal for development of web-based courseware and web-accessible chemical databases. The JmolApplet provides an upgrade path for users of the Chime plug-in.
    • The Jmol application is a standalone Java application that runs on the desktop.
    • The JmolViewer can be integrated as a component into other Java applications.
  • Multi-language
    • Translated into multiple languages: Catalan (ca), Chinese (both zh_CN and zh_TW) Czech (cs), Dutch (nl), Finnish (fi) French (fr), German (de), Hungarian (hu), Indonesian (id), Italian (it), Korean (ko), Malay (ms), Portuguese - Brazil (pt_BR), Spanish (es), Turkish (tr), Ukrainian (uk) (in addition to the native American English, en-US, and British English, en-GB).
    • Automatically adopts the language of the user's operating system, if it is among the translations available. You can change to another language if desired.
    • For up-to-date details or instructions for adding your language, see the Wiki.
  • Cross-platform
    • Windows
    • Mac OS X
    • Linux / Unix
  • Supports all major web browsers: Internet Explorer, Mozilla and Firefox, Safari, Google Chrome, Opera, Konqueror, IceWeasel, ...
  • High-performance 3D rendering with no hardware requirements
  • File formats (see also the file formats section within Jmol Wiki):
    MOLMDL / Elsevier / Symyx structure (classic version V2000)
    V3000MDL / Elsevier / Symyx structure (new version V3000)
    SDFMDL / Elsevier / Symyx structure (multiple models)
    CTFileMDL / Elsevier / Symyx chemical table (generic)
    CIFCrystallographic Information File - standard from the International Union of Crystallography
    mmCIFMacromolecular Crystallographic Information File - standard from the International Union of Crystallography
    CMLChemical Markup Language
    PDBProtein Data Bank - Research Collaboratory for Structural Bioinformatics
    XYZXYZ format, XMol file - Minnesota Supercomputer Institute
    XYZ+vibXYZ format with added vibrational vector information
    XYZ-FAHXYZ format for Folding@home
    MOL2Sybyl, Tripos
    AlchemyTripos
    CSFFujitsu CAChe chemical structure, now Fujitsu Sygress
    GAMESSGeneral Atomic and Molecular Electronic Structure System output (both US and UK variants) - Gordon Research Group, Iowa State University
    GaussianGaussian 94/98/03 output - Gaussian, Inc.
    CubeGaussian, Inc.
    GhemicalThe Ghemical computational chemistry package
    MM1GPGhemical molecular mechanics file
    HINHIN / HIV files from HyperChem - Hypercube, Inc.
    JaguarSchrodinger, LLC
    MOLPROMolpro output
    MOPACMOPAC 93/97/2002 output (public domain)
    MGFMOPAC 2007 (v.7.101) graphf output (public domain)
    NWCHEMNWChem output - Pacific Northwest National Laboratory
    odydataOdyssey data - WaveFunction, Inc.
    xodydataOdyssey XML data - WaveFunction, Inc.
    QOUTQ-Chem, Inc.
    SHELXStructural Chemistry Department, University of Göttingen (Germany)
    SMOLSpartan data - Wavefunction, Inc.
    spinputSpartan data - Wavefunction, Inc.
    GROGromos87 format from GROMACS
    PQRModified pdb format including charge and radius
    AmberThe Amber package of molecular simulation programs
    JMEJava Molecular Editor - Peter Ertl
    CASTEPThe CASTEP software package, uses density functional theory
    FHI-aimsFull-potential / all-electron electronic structure theory with local orbitals - Fritz-Haber-Institut der Max-Planck-Gesellschaft
    VASPVASP / VAMP / Vienna ab-initio simulation package
    DGridMiroslav Kohout, Max-Planck Institute
    ADFADF output - Amsterdam Density Functional
    XSDAccelrys Materials Studio
    AGLArgusLab
    DFTWien2k
    AMPACAMPAC output - Semichem, Inc.
    WebMOWebMO interface to computational chemistry packages
    MoldenElectron density / molecular orbitals
    PSI3Output files from the PSI3 suite of quantum chemical programs
    CRYSTALOutput files from CRYSTAL, a computational tool for solid state chemistry and physics. Theoretical Chemistry Group, Univ. Torino, Italy.
    * Files which are compressed with gzip will automatically be decompressed
  • Animations
  • Vibrations
  • Surfaces
  • Orbitals
  • Support for unit cell and symmetry operations
  • Schematic shapes for secondary structures in biomolecules
  • Measurements
    • distance
    • angle
    • torsion angle
  • Support for RasMol/Chime scripting language
  • JavaScript support library (Jmol.js)
  • Exports to jpg, png, gif, ppm, pdf, POV-Ray, Gaussian, Maya, vrml, x3d, idtf, web page.
  • For more details, see the history of development.

What the critics are saying

Jmol v10: I can't believe it's Java!
But it's also open-source, so there's simply no question about it.
Get your copy now, before they run out of those virtual Java machine thingies.
It's just in time (JIT) for Christmas, from what I hear!
Warren L. DeLano, shell-shocked C/Python developer
Principal Scientist, DeLano Scientific, Author of PyMOL
December 2004.

Obtain Jmol

Jmol v. 12.2 is the latest official, stable version.
There are also prerelease versions that are being developed for enhanced functionality (odd-numbered versions like 11.7, 11.9, 12.1, 12.3).

You can get the latest stable version from this direct download link. Or, if you are interested in other versions or the prereleases, read details in the download page.

Being a .jar file, the Jmol application will be displayed as a Java icon. If you want a Jmol icon to be shown instead, you can get it from the Jmol Wiki.

Learn to use Jmol

Manuals and tutorials

A handbook has been published for learning Jmol, and there are also other publications about Jmol.

There is also a list of tutorials designed to learn the use of Jmol, and more help, within Jmol Wiki.

Finally, there is a documentation section in this web site, for more technical details.

Learn by example

You can also learn by examining web pages that use Jmol: demonstration pages within this web site, and a list of websites using Jmol in Jmol Wiki.

Jmol community

Jmol Wiki

A user-maintained site collecting a lot of information about the use of Jmol. More dynamical and frequently updated than this web site! -- visit Jmol Wiki

Mailing lists

Those with interest in molecular visualization, especially the education and research communities, are encouraged to join the jmol-users mailing list or even the jmol-developers mailing list. There you can share ideas and experiences, ask for help, give us feedback, request new features or changes, discuss implementation, submit patches, or contribute code.

Without subscribing to any lists, you can also search the archives that collect all messages posted to the lists.

For more information, please visit the Project pages section.

Source : http://jmol.sourceforge.net/

JChemPaint

File:news.png January 2010: The JCP 3.0.1 release is available. This is a bugfix release for 3.0. Download here or have a look at the changelog. December 2009: We have finished the JCP 3.0 release. This is a totally reworked design, offering a more user friendly interface. We have done thorough testing and are confident this is a better and more stable release than ever. The applet is also signed so that it can do IO and is smaller and faster than ever. Downloads and a test page for the applet are available.

JChemPaint (or JCP for short here) is the editor and viewer for 2D chemical structures developed using CDK. It is implemented in several forms: a Java application and two varieties of Java applet.

JChemPaint Editor applet

  • An applet is a Java program that runs only within a web page.
  • The JCP Editor allows the user to draw chemical structures, and to import and export structure data in plain-text formats (SMILES, Molfile, CML)
  • It also allows to programmatically load and display a chemical structure, which can then be edited by the user.
For demonstration, the Steinbeck group (EBI) hosts various releases of the applet. You can try the stable relase there, or preview the development version.
A snapshot of the 3.0 release applet is given below:

To learn how to insert and use the applet within a web page, see JChemPaint Inside Webpages.


JChemPaint Viewer applet

  • (An applet is a Java program that runs only within a web page.)
  • The JCP Viewer only allows to programmatically display a chemical structure, which the user cannot modify.
  • Demo page

To learn how to insert and use the applet within a web page, see JChemPaint Inside Webpages.




JChemPaint application

  • The application is a stand-alone program. It needs an installed Java Virtual Machine for operation. If your system does not have a JVM, get it from Sun's Java website.
  • The JCP application has all the functionality of the JCP Editor applet (see below), plus file input and output.
Below a screenshot of the 3.0 release:

Features

These are the most prominent capabilities of the application; most of them are also available in the applets.
  • Drawing and deletion of single, double, triple and stereo bonds.
  • Ring templates (3-8 atoms) with one-click attachment.
  • An extensive template library.
  • Colouring of atom types, and other rendering settings.
  • Editing of atomic charges, isotopes and hydrogen count.
  • Loading and saving of structures in Chemical Markup Language (CML) and as MDL MOL files and SDF files (loading only).
  • Automated Structure Layout, also known as Structure Diagram Generation.
  • Loading structures from the Internet using CAS or NSC number.
  • Normalization of structures, currently limited to aromaticity detection.
  • Saving bitmap pictures of the structures.
  • Saving structures as graphics (PNG, BMP, Scalable Vector Graphics (SVG)).
  • Postscript printing. 
Source :  http://sourceforge.net/apps/mediawiki/cdk/index.php?title=JChemPaint

ChemTool, Pengkonversi Mol dan Massa Zat dari ChemPup

ChemTool sesungguhnya hanyalah sebuah file spreadsheet yang dirancang untuk penkonversian massa zat ke mol dan sebaliknya. Chemtool ini merupakan salah satu applet yang ada dalam Chempup seperti yang saya tulis di ChemPup, Applet Kimia pada Puppy Linux. Sangat sederhana namun cukup inspiratif. Ini tentu masih dapat dikembangkan lebih lanjut untuk pembuatan kalkulator khusus hanya dengan menggunakan spreadsheet. Saya sudah coba mengalihbahasakan ChemTool ini.
Ini adalah bentuk aslinya.
Berikutnya adalah hasil terjemahan dengan tidak mengubah rumus yang ada di dalam-nya.
Kalau berminat (meskipun tidak begitu penting) silahkan unduh dari sini (file xlsx) 13,5 KB.
Saya kira file ini akan dikembangkan lebih lanjut, sebab sudah banyak yang menggunakan spreadsheet untuk digunakan dalam pengajaran kimia seperti yang saya tulis di blog ini: Mengembangkan Simulasi Matematika untuk Kimia dengan Excel.

Sumber : http://urip.wordpress.com/2011/06/08/chemtool-pengkonversi-mol-dan-massa-zat-dari-chempup/

GElement

GElement sebenarnya merupakan aplikasi yang dapat dipasang pada setiap sistem operasi Linux. Menurut saya GElement atau dengan nama sedikit beda GElemental namun tampilannya lebih bagus.
Tapi kali ini saya membahasannya setelah saya mencoba menggunakan ChemPup dalam Puppy Linux. Seperti halnya aplikasi yang menyajikan tabel periodik tentu akan memberikan informasi sedatail mungkin dengan tampilan yang sangat menarik. Tak terlalu banyak lebih-nya pada aplikasi yang satu ini.
Pada GElement ini kita bisa melihat properti terkait unsur masing-masing mulai dari informasi yang tergolong umum, sifat fisik, maupun sifat atomiknya.
Dari tabel ini kita juga bisa menelusuri lebih lanjut mengenai sumber yang dijadikan patokan pemberian nilai-nilai variabel sifat.
Berikut ini adalah screenshoot tampilan GElement model list, bukan dalam bentuk tabel seperti yang terlihat pada gambar-gambar sebelumnya. Kita bisa mengurutkan berdasarkan header tabel list yang ada juga bisa melihat sifat berdasarkan sifat umum (general), sejarah, sifat fisik, sifat termal, sifat atomik, bentuk kristalografik, elektronik dan sebagainya.
Aplikasi ini sangat cocok digunakan mengajarkan materi yang terkait sengan sistem periodik, struktur atom dan kimia unsur.
Meskipun saya belum mendapatkan yang dapat dipasang di sistem operasi windows, softaware serupa sudah banyak tersedia, baik dalam bentuk flash maupun web atau yang harus diinstall terlebih dahulu.

Sumber : http://urip.wordpress.com/2011/06/08/gelement-tabel-periodik-unsur-yang-memberi-banyak-informasi/