中文名: 分子力学和量子力学计算程序
英文名: Wavefunction.Spartan.08
资源格式: 压缩包
版本: v1.2.Cracked-EAT
发行时间: 2009年08月02日
制作发行: Wavefunction.lnc
地区: 美国
语言: 英文
简介:
语言：英文
官网：http://www.wavefun.com/index.html
化学领域强大的分子力学和量子力学计算程序。依靠艺术级的图形显示和成熟的算法，Spartan为制药与生物技术机构在靶标识别与确立、先导物的选择与优化和工艺优化过程提供关键数据支持。
功能： 1. 理论方法：从头Hartree-Fork，密度泛函（局域密度近似，以及BP，BLYP，EDF1，B3LYP），MPn（MP2，MP3，MP4，LMP2），更高级的相关能计算（CCSD，CCSD(T)，OD，OD(T)，G2，G3），半经验方法（MNDO，MNDO(d)，AM1，PM3），蒙特卡罗和分子力学。
2. 计算类型：单点能计算，几何优化，组态分析，预测化学反应，平衡位置和过渡态寻找，水溶液的SM5.4能量计算，Mulliken和NBO的布居分析。
3. 全部计算和结果的显示都在图形界面下完成。
更多资源请请访问：http://www.VeryCD.com/groups/langard/
引用
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Wavefunction.Spartan.08.v1.2.Cracked-EAT
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° ± SUPPLIER ....: TEAM EAT ± °
± PROG TYPE ...: SCIENTIFIC ±
° LANGUAGE ....: ENGLISH °
RELEASE DATE.: 07/28/09
° °
° CRACKER ......: TEAM EAT °
PROTECTION ...: HASP & ACTIVATION
DIFFICULTY ...: GUESS!
PACKAGER ....: TEAM EAT
FORMAT ......: ZIP/RAR
ARCHIVE NAME.: eats8121.zip
No OF DISKS .: [XX/56]
REQUIREMENTS .: WinXP/2003/Vista/2008
PRICE ........: $1200.00
WEBSITE.......: http://www.wavefun.com
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NOTE: This release is the full version of Spartan'08.
_____________________________________________________
SpartanModel is an "Electronic Model Kit". Making
use of computer technology, SpartanModel replaces
the "plastic models" used by past generations of
organic chemistry students, and extends the utility
of molecular models in chemistry education.
Spartan Student Edition is a serious molecular
modeling package for teaching, and learning,
chemistry. Combining Spartan's easy to use graphical
interface with a targeted set of computational
engines, the Student Edition provides fundamental
molecular modeling utilities in supporting the
Organic Chemistry curriculum.
Spartan Essential Edition includes a full range of
molecular mechanics and quantum chemical methods, up
through and including Hartree-Fock Ab Initio
methods, behind the cutting-edge Spartan putting
powerful calculations at your fingertips. This
version of Spartan is commonly used in academic
computer labs.
Spartan is the most sophisticated version offered.
This program offers all features and methods
included in the Essential Edition AND in
collaboration with Q-Chem, enables a full range of
post-Hartree-Fock methods including Density
Functional, Moller Plesset, and an assortment of
Advanced Correlated methods. Spartan is the dominant
version used in academic, government, and commercial
research.
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Do NOT distribute this release outside of the scene
Keep the scene alive and secure!
All good progs start as freeware,
then things get worse ... ;-)
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1. Unpack and install.
2. Select 'Software Key' licensing option.
3. Cancel the activation code dialog.
4. Replace the file(s) with the included one(s).
That's all. Have fun using it! ;-)
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