Wavefunction, Inc. - 製品　Spartan'08 Essential for Macintosh　新機能

Spartan'08 で新たに加わった機能の一覧です。
新機能リスト（英文）はここ（New Feature List）をクリック（PDFファイルが開きます。）


	GUIに関連する新機能

	New Reactions Dialogue provides tool for calculation reaction and activation energies
	Improved File Structure allows for embedding external data files in native Spartan file format
	Import of experimental IR in JCAMP file format
	Export of calculated IR in JCAMP file format
	Expanded Transition State Library to more than 2000 reaction types
	Discrete Property Maps for display of composite calculated surfaces (ESP Maps, for example)
	Electron density surface optionally displayed as a % of total electron density (vs. isovalue)
	New "Tumble" feature for display of molecule in rotation
	Import/Export of multi-molecule MOL2 or SDF Files (including atomic charge data)
	Substituent Definitions can now be used in SMD database searching
	2D Thumbnails may now be included in Spartan spreadsheet
	Vector quantities may now be stored in Spartan spreadsheet (and plotted)

	Spartan'08 Essentialで新しく追加された機能の一覧です。
	(Spartan’06 Full Editionに新しく導入された、以下の機能がEssential Editionでも使えるようになりました)