Chemistry (New York, Abu Dhabi, Shanghai)

TopSpin is NMR processing software for Windows, Mac, and Linux.

• TopSpin can be downloaded for free, for academic use, from the vendor website after registering an account with your NYU email address.
• For more NMR freeware/software options, please consult the University of Washington's guide to NMR data processing. 

Cambridge Structural Database (CSD) is a worldwide repository of small molecule crystal structures hosted by Cambridge Crystallographic Data Center (CCDC). NYU has a site license to access CSD.

• You may access the database via WebCSD (the online portal to the CSD)
• Alternatively, contact Margaret Smith for information on installing the Cambridge Structural Database System (CSDS) on your computer.

Gaussian lets you model electron structures. This software is capable of handling proteins and large molecules using semi-empirical, ab initio molecular orbital (MO), density functional, and molecular mechanics calculations.

• Gaussian is distributed by the High Performance Computing group.

GaussView is a graphical user interface for Gaussian. A desktop license for GaussView is available upon request.

• Email the High Performance Computing group for distribution information.

Logger Pro is a general-purpose data collection and analysis program.

• Logger Pro is not installed on any public computers in the library, but if your instructor emails you a link to download Logger Pro, or posts a Logger Pro download link to NYU Classes, then it can be downloaded and run on your personal computer.

OriginPro is a software application for data analysis and publication-quality graphing. 

• A limited number of shared OriginPro licenses are available to NYU Chemistry labs on the Washington Square campus. For more information, students and faculty who are currently affiliated with NYU Chemistry can contact Shereef Elmetwaly.

MATLAB  integrates numerical analysis, matrix computation, signal processing, and graphics in an easy to use environment.

• MATLAB is available for students through the Virtual Computer Lab.
• Individual licenses for faculty, staff, and students available through the NYU Computer Store.

Mathematica is a programming environment designed for mathematical computations.

• Mathematica is available to students through the Virtual Computer Lab.
• Distribution is managed by the High Performance Computing group. Email them to learn more about acquiring a license. 

• EndNote (Windows and Macintosh download, NYU only)
• RefWorks (Web-based access, NYU only)
• Zotero (Web-based download, free)

Comparison of Reference Management Software: Wikipedia article with summary information twenty different citation management tools, including cost, license, import/export formats, citation and reference list formats, word processor integration, and ability to connect to external databases.