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18 条记录 (耗时 0.023 秒)

    CATALYTIC OXY-FUNCTIONALIZATION OF METAL-CARBON BONDS
    3.
    发明申请
    CATALYTIC OXY-FUNCTIONALIZATION OF METAL-CARBON BONDS 审中-公开
    金属碳的催化氧化功能

    公开(公告)号：US20090264688A1

    公开(公告)日：2009-10-22

    申请号：US12354318

    申请日：2009-01-15

    申请人： Roy A. Periana ,  William A. Goddard, III ,  William Tenn

    发明人： Roy A. Periana ,  William A. Goddard, III ,  William Tenn

    IPC分类号： C07C27/22

    CPC分类号： C07C29/48 ,  C07C31/02 ,  C07C31/04

    摘要： The development of compatible functionalization reactions with methyl rhenium(I) species, for integration with the CH activation reaction of hydrocarbons by transition metal alkoxo complexes is described. The invention is applicable to the design of rapid, stable CH activation systems integrated with an oxy-functionalization reaction for selective, low temperature hydrocarbon oxidation catalysts.

    摘要翻译： 描述了与甲基铼（I）物质的相容官能化反应的发展，用于通过过渡金属烷氧基配合物与烃的CH活化反应的一体化。 本发明适用于与用于选择性低温烃氧化催化剂的氧官能化反应相结合的快速，稳定的CH活化体系的设计。

    Methods of Discovering or Developing Novel Materials and Molecules
    7.
    发明申请
    Methods of Discovering or Developing Novel Materials and Molecules 审中-公开
    发现或开发新材料和分子的方法

    公开(公告)号：US20110166039A1

    公开(公告)日：2011-07-07

    申请号：US11628258

    申请日：2005-06-03

    申请人： Yongchun Tang ,  William A. Goddard, III ,  Roy Periana

    发明人： Yongchun Tang ,  William A. Goddard, III ,  Roy Periana

    IPC分类号： C40B30/08

    CPC分类号： B01J31/1815 ,  B01J31/2226 ,  B01J31/2234 ,  B01J31/2243 ,  B01J31/226 ,  B01J2231/46 ,  B01J2231/70 ,  B01J2531/008 ,  B01J2531/0244 ,  B01J2531/827 ,  B01J2540/22

    摘要： The present inventions relates to methods of discovering or developing novel material or compound. In particular, the methods include the steps of using of general expert knowledge to identify currently available molecules, setting forth desired properties for a target molecule, designing a set of test molecule from the currently available molecule using computational methods (the test molecules having desired properties in the computational models); synthesizing the test molecules, testing the test molecules in real experiments, and identifying the target molecule which is the test molecule that has the desired properties.

    摘要翻译： 本发明涉及发现或开发新材料或化合物的方法。 特别地，所述方法包括以下步骤：使用一般专家知识来鉴定当前可用的分子，为靶分子确定所需的性质，使用计算方法（所述测试分子具有所需性质）从当前可用分子设计一组测试分子 在计算模型中）; 合成测试分子，在实验中测试测试分子，并鉴定作为具有所需性质的测试分子的靶分子。

    METHODS FOR PREDICTION OF BINDING POSES OF A MOLECULE
    8.
    发明申请
    METHODS FOR PREDICTION OF BINDING POSES OF A MOLECULE 审中-公开
    用于预测分子结合位置的方法

    公开(公告)号：US20110144966A1

    公开(公告)日：2011-06-16

    申请号：US12944700

    申请日：2010-11-11

    申请人： William A. Goddard, III ,  Ravinder Abrol ,  Ismet C. Tanrikulu ,  Adam R. Griffith

    发明人： William A. Goddard, III ,  Ravinder Abrol ,  Ismet C. Tanrikulu ,  Adam R. Griffith

    IPC分类号： G06G7/58

    CPC分类号： G16B15/00

    摘要： A method for prediction of binding poses of a binding molecule to a target molecule is provided. The method involves a step of providing, clustering, and evaluating binding poses of the binding molecule. The providing and clustering of the poses is performed by a single or multiple iteration procedure. The evaluation of the poses is determined from interaction energies between particular poses and the target molecule.

    摘要翻译： 提供了一种用于预测结合分子与靶分子的结合姿势的方法。 该方法包括提供，聚集和评估结合分子的结合姿势的步骤。 姿势的提供和聚类通过单次或多次迭代过程进行。 姿势的评估由特定姿势与目标分子之间的相互作用能确定。

    Detection and reduction of dielectric breakdown in semiconductor devices
    9.
    发明授权
    Detection and reduction of dielectric breakdown in semiconductor devices 有权
    检测和减少半导体器件中的介质击穿

    公开(公告)号：US07943401B2

    公开(公告)日：2011-05-17

    申请号：US12114587

    申请日：2008-05-02

    申请人： Jamil Tamir-Kheli ,  William A. Goddard, III ,  Masayasu Miyata

    发明人： Jamil Tamir-Kheli ,  William A. Goddard, III ,  Masayasu Miyata

    IPC分类号： H01L21/66

    CPC分类号： G01N21/66 ,  H01L22/00 ,  H01L22/24

    摘要： Methods for detecting the breakdown potential of a semiconductor device having a thin dielectric layer are disclosed. The method includes measuring a spectroscopy of the thin dielectric layer and determining whether the spectroscopy exhibits the presence of a breakdown precursor (H2, H interstitial radical, H attached radical, and H attached dimer). Preferably, the method is carried out in the presence of a substantially significant applied electric field across dielectric layer. A semiconductor device tested in accordance with this method is also disclosed. Additionally, methods for reducing dielectric breakdown of a semiconductor device having a thin dielectric layer involving the substitution of a second molecule for H2 molecules present in the dielectric. This second molecule preferably does not react with Si or O to form an undesired attached state and may be an inert gas having a molecular size approximating that of a Hydrogen atom, such as Helium. A semiconductor device made using this method is also disclosed.

    摘要翻译： 公开了一种用于检测具有薄介电层的半导体器件的击穿电位的方法。 该方法包括测量薄介电层的光谱，并确定光谱是否表现出分解前体（H2，H间隙自由基，H连接基团和H连接的二聚体）的存在。 优选地，该方法在跨介电层的基本上有效的施加电场的存在下进行。 还公开了根据该方法测试的半导体器件。 另外，用于减少具有薄介电层的半导体器件的电介质击穿的方法涉及电介质中存在的用于H 2分子的第二分子的取代。 该第二分子优选不与Si或O反应以形成不期望的附着状态，并且可以是分子大小接近氢原子如氦的惰性气体。 还公开了使用该方法制造的半导体器件。

    De novo processing of electronic materials
    10.
    发明授权
    De novo processing of electronic materials 失效
    从头处理电子材料

    公开(公告)号：US06685772B2

    公开(公告)日：2004-02-03

    申请号：US10113919

    申请日：2002-03-28

    申请人： William A. Goddard, III ,  Gyeong S. Hwang

    发明人： William A. Goddard, III ,  Gyeong S. Hwang

    IPC分类号： C30B110

    CPC分类号： G06F17/5018

    摘要： Computer programs and computer-implemented methods for predicting from first principles the behavior of dopants and defects in the processing of electronic materials. The distribution of dopant and defect components in a substrate lattice is predicted based on external conditions and fundamental data for a set of microscopic processes that can occur during material processing operations. The concentration behavior of one or more fast components is calculated in two stages, by solving a first relationship for a time period before the fast component reaches a pseudo steady state at which the concentration of the fast component is determined by concentrations of one or more second components, and by solving a second relationship for a time period after the first component reaches the pseudo steady state. Application of these methods to modeling ultrashallow junction processing is also described.

    摘要翻译： 计算机程序和计算机实现的方法，用于从第一原理预测掺杂剂的行为和电子材料加工中的缺陷。 掺杂剂和缺陷组分在衬底晶格中的分布是基于在材料加工操作期间可能发生的一组微观工艺的外部条件和基本数据来预测的。 一个或多个快速组分的浓度行为通过在快速组分达到假稳定状态之前的时间段内求解第一关系来计算两个阶段，其中快速组分的浓度由一个或多个第二个浓度确定 并且通过在第一分量达到伪稳定状态之后的时间段内求解第二关系。 还描述了这些方法对超浅接合处理建模的应用。