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spartan odyssey versions & pricing order demo contact computational chemistry > spartan feature sets: » molecular modelling & visualisation » quantum chemistry » spectroscopy » molecular mechanics » calculation of properties » databases » pharmaceutical research » full feature list » version comparison (pdf) » software for the mac » spartan manual (pdf) » free ebook other information: » texts using spartan » integration with chemdraw » spartan rsc review » full calculations list » q-chem collaboration » spartan versions professor dave evans, harvard university: "we in the evans group rely on spartan for all our needs in computational molecular orbital theory... spartan's high-quality graphics and ease-of-use have greatly facilitated our studies." more testimonials. ten key benefits what makes spartan an essential purchase? click here to find out. trial spartan request a trial version call us on: uk: 02890 320736 irl: 04890 320736 spartan 14 windows is available now trial it now! spartan 14 mac and linux will be available shortly spartan 14 delivers a significant performance boost and many enhancements and new features whilst maintaining unrivalled ease of use. spartan has a wide range of features including conformational searching, calculation of structure, energies, and properties, and quantifying 3-d molecular similarity. see the spartan 14 pdf brochure » evaluate spartan 14 (windows) spartan'14 is the latest release of wavefunction's flagship spartan line. in addition to the performance, stability, and functionality provided by more than 20 years of professional software development, the following new features have been added. click here for itemized new feature list (pdf file) new graphical user interface features: completely reimagined icons and toolbar display. fully supports touch devices. tab-based visualization option for multiple open documents orbital energy diagram provides display of occupied and unoccupied molecular orbitals, accessible from a single and convenient energy diagram table refined surfaces dialogue, with a new menu for most commonly used graphical models surface clipping feature accessed via surface properties dialogue allows for visualization inside calculated graphical models calculation of selected area feature for composite maps accessed via the surface propertied dialogue qsar and thermodynamic properties available in the molecule properties dialogue access to the spartan spectra and propertied database (sspd) including ir and nmr spectra, molecular and atomic properties, and qsar descriptors nmr spectra display now includes cosy, hsqc, and hmbc datamining, statistical analysis, and plotting features available for the spartan molecular database (smd) and spartan spectra and propertied database (sspd) formula editor dialogue allows user to easily specify custom queries of the spartan molecular database (smd) and spartan spectra and propertied database (sspd) automatic name search of wikipedia available from the database preview dialogue new computational enhancements: calculation of raman frequencies and intensities, display of raman spectra for hartree-fock and dft models correction scheme for calculated nmr chemical shifts (edf2 model) provides accuracy to ~ 1.4-1.6 ppm. for 13 c, .1 to .15 ppm for 1 h, and 3.4 for 19 f. the t1 thermochemical recipe has been extended to incorporate molecules containing silicon and phosphorous gradients have been implemented for ri-cis(d) allowing for equilibrium geometries of excited states vibrational frequencies have been parallelized for hartree-fock and dft (parallel suite only) raman spectra can be calculated for hartree-fock and dft full 64-bit implementation has been completed and is available for windows and linux computational chemistry computational chemistry is a uk and irish sales partner of wavefunction incorporated - a usa based industry leading developer of advanced chemistry software for research, education and drug discovery. spartan is powerful chemistry software with an elegantly designed graphical interface that makes it easy to learn and use. it is effective for learning (and teaching) the subtleties of organic and physical chemistry. for professional chemists and researchers spartan accelerates research in both academic and commercial environments. the new odyssey program provides an electronic learning environment with rich interactive 3d molecular simulations and structured chemistry content ideally suited to first year undergraduate chemistry and pharmaceutical science courses. spartan and odyssey spartan, chemistry software for research, higher education and pharmaceutical science odyssey, chemistry software for undergraduate studies computational chemistry is a trading name of fable multimedia ltd registered in belfast, uk. company registration number ni 50177. contact us | privacy

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http://www.computational-chemistry.co.uk/spartan_14_brochure.pdf
http://www.computational-chemistry.co.uk/royalsocietychemistryreview.html
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Whois Information

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Domain name:
computational-chemistry.co.uk

Registrant:
Fable Multimedia Ltd

Registrant type:
Unknown

Registrant's address:
4 Sandford Avenue
Belfast
BT5 5NW
United Kingdom

Data validation:
Nominet was able to match the registrant's name and address against a 3rd party data source on 25-Nov-2014

Registrar:
Ascio Technologies Inc. Denmark ? filial af Ascio Technologies Inc. USA t/a Ascio Technologies inc [Tag = ASCIO]
URL: http://www.ascio.com

Relevant dates:
Registered on: 17-Aug-2007
Expiry date: 17-Aug-2017
Last updated: 21-Sep-2016

Registration status:
Registered until expiry date.

Name servers:
alfa.ns.active24.cz
beta.ns.active24.cz
gama.ns.active24.sk

WHOIS lookup made at 17:28:03 11-Aug-2017

--
This WHOIS information is provided for free by Nominet UK the central registry
for .uk domain names. This information and the .uk WHOIS are:

Copyright Nominet UK 1996 - 2017.

You may not access the .uk WHOIS or use any data from it except as permitted
by the terms of use available in full at http://www.nominet.uk/whoisterms,
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or hiding any or all of this notice and (C) exceeding query rate or volume
limits. The data is provided on an 'as-is' basis and may lag behind the
register. Access may be withdrawn or restricted at any time.

  REFERRER http://www.nominet.org.uk

  REGISTRAR Nominet UK

SERVERS

  SERVER co.uk.whois-servers.net

  ARGS computational-chemistry.co.uk

  PORT 43

  TYPE domain

OWNER

  ORGANIZATION Fable Multimedia Ltd

TYPE
Unknown

ADDRESS
4 Sandford Avenue
Belfast
BT5 5NW
United Kingdom
Data validation:
Nominet was able to match the registrant's name and address against a 3rd party data source on 25-Nov-2014

DOMAIN

  SPONSOR Ascio Technologies Inc. Denmark ? filial af Ascio Technologies Inc. USA t/a Ascio Technologies inc [Tag = ASCIO]

  CREATED 2007-08-17

  CHANGED 2016-09-21

STATUS
Registered until expiry date.

NSERVER

  ALFA.NS.ACTIVE24.CZ 81.95.96.2

  BETA.NS.ACTIVE24.CZ 81.0.238.27

  GAMA.NS.ACTIVE24.SK 93.188.1.228

  NAME computational-chemistry.co.uk

DISCLAIMER
This WHOIS information is provided for free by Nominet UK the central registry
for .uk domain names. This information and the .uk WHOIS are:
Copyright Nominet UK 1996 - 2017.
You may not access the .uk WHOIS or use any data from it except as permitted
by the terms of use available in full at http://www.nominet.uk/whoisterms,
which includes restrictions on: (A) use of the data for advertising, or its
repackaging, recompilation, redistribution or reuse (B) obscuring, removing
or hiding any or all of this notice and (C) exceeding query rate or volume
limits. The data is provided on an 'as-is' basis and may lag behind the
register. Access may be withdrawn or restricted at any time.

  REGISTERED yes

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