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A two-day intensive molecular modeling workshop presented as a

mixture of lectures and hands-on activities. Computational models

and strategies underlying the current generation of Spartan

software (Spartan’18 Parallel Suite) will be explored, including: molecular structure, properties, reactivity and selectivity; application of graphical models; calculated spectra (NMR, IR/Raman, UV/vis); conformationally flexible molecules; calculating accurate heats of formation; total energies and thermodynamic and kinetic data; finding and verifying equilibrium and transition state geometries; utilizing the Spartan Spectra & Properties Database (SSPD); access to the Protein Databank (PDB) and Cambridge Structural Database (CSD).

Students Typing at Their Computers
WHO

Wavefunction, Inc., founded 1991, developer of Spartan and

ODYSSEY software. 

WHAT

ON-SITE  MOLECULAR MODELING WORKSHOPS

WHEN

TBD

WHERE

Wavefunction, Inc.,

18401 Von Karman Avenue, Irvine, CA  92612.

​$1,000 for Academic attendees

$1,500 for Government and Commercial attendees

​Registration fee includes two full days of training, refreshments, breakfast and lunch. All attendees will receive course notes and copies of all Spartan files used in lecture and hands-on examples. Additionally, all attendees are eligible for a 25% discount on a new or upgraded individual license or a 50% discount on renewing maintenance on an individual license.

 

Space is limited. To maximize impact, Wavefunction is limiting attendance to no more than 10 chemists.

CONTACT
EXPECTATIONS
  • Connecting the Schrödinger equation to practical QM methods, and utilization of molecular mechanics.

  • Assessing both “limiting” and practical quantum chemical methods for geometries and reaction energies.

  • Formulation of reliable and practical quantum chemical methods for NMR, IR, Raman and UV/vis spectra.

  • Description and utilization of graphical models in presentation of molecular structure and properties.

  • “Reactant-based” graphical models & transition state models applied to chemical reactivity and selectivity.

  • Combining molecular mechanics and quantum chemical models to address conformation.

  • “Hands-on” experience with Spartan covering Spartan’18’s major capabilities.

UPCOMING EVENTS
CONTACT US

Wavefunction, Inc. 日本支店

〒102-0083

東京都千代田区麹町3-5-2 BUREX麹町

Phone 03-3239-8339 

Fax 03-3239-8340

E-mail us here.

New Products
*2024年5月

 ・社内不在についてのお知らせ (5/2024)
働き方改革のため、従業員は原則在宅勤務としております。

そのため電話応対を出来ない場合がございます。

その場合、後ほど、折り返しのお電話にて順次対応をさせていただきます。

お急ぎの場合、メールもしくは【お問合せフォーム】をご利用ください。
ご不便をおかけしますが、ご理解のほどよろしくお願いいたします。

*2024年11

 ・天然物の配座解析とNMR予測に

       関する機能にテーマを絞った
    「Spartanユーザ会」を開催することになりました。

  11/30(土)午後より東京近郊での開催となります。

  申し込みには【お問合せフォーム】をご利用ください。
 会場の広さの関係で参加出来ない場合がございます。

 ご了承ください。

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