The study of complex mineral and inorganic structures by means of computer graphics

通过计算机图形学研究复杂的矿物和无机结构

基本信息

  • 批准号:
    62580043
  • 负责人:
  • 金额:
    $ 1.54万
  • 依托单位:
  • 依托单位国家:
    日本
  • 项目类别:
    Grant-in-Aid for General Scientific Research (C)
  • 财政年份:
    1987
  • 资助国家:
    日本
  • 起止时间:
    1987 至 1988
  • 项目状态:
    已结题

项目摘要

This project may be divided into two major parts. One is to develope a graphic program for calculating crystal structures on personal computers, such as those of the NEC 98001 series. The program must be suited for studying mineral and inorganic crystal structures. The other is to apply the program to study very complex mineral structures, specifically the plagionite group of minerals. The results obtained in the assigned period are summarized below.1. A MS-DOS version was made of the program CRYSTAL which had been written by M. Hirano with n88BASIC. The new improved version, denoted CRYSTAL 18, has various functions which are not available in the original program. Some of the major functions added are: (1) any thin slice of a given structure can be made and displayed and (2) four diagrams having a series of different orientations can be displayed simultaneously.2. The substructure-superstructure rational relationship has been established for plagionite, Pb_5Sb_8S_<17>; the transformation matrix has been derived to relate their sets of crystallographic axes. Further study extended to the fuloppite structure has fully elucidated the mechanism of cell-twinning underlying the whole plagionite group.The results achieved by the present stusy would provide, for example, considerable contribution to the promotion of the systematics of sulfosalts and in general to that of the structural study of minerals and inorganic materials.
本项目可分为两大部分。一个是在个人计算机上开发计算晶体结构的图形程序,如NEC 98001系列计算机。该计划必须适合研究矿物和无机晶体结构。另一个是应用程序来研究非常复杂的矿物结构,特别是斜长岩类矿物。在指定期间内取得的成果概述如下。用M. Hirano使用n88 BASIC。新的改进版本,标示为CRYSTAL 18,具有原始程序中不可用的各种功能。增加的一些主要功能是:(1)可以制作和显示给定结构的任何薄片;(2)可以同时显示具有一系列不同方向的四个图。本文建立了斜硫锑铅矿Pb_5Sb_8S_3的亚结构-超结构的合理关系<17>,导出了它们的晶轴关系的变换矩阵。进一步的研究表明,斜硫铁矿的胞孪晶机制是一个完整的体系,这一研究结果对促进硫盐的系统学研究,以及矿物和无机材料的结构研究都具有重要意义。

项目成果

期刊论文数量(4)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
竹内慶夫: 日本結晶学会 (1988年11月).
Takeuchi, Yoshio:日本晶体学会(1988 年 11 月)。
  • DOI:
  • 发表时间:
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  • 影响因子:
    0
  • 作者:
  • 通讯作者:
竹内慶夫、平野昌弘: 日本鉱物学会年会 (1988年6月).
Yoshio Takeuchi、Masahiro Hirano:日本矿物学会年会(1988 年 6 月)。
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TAKEUCHI Yoshio其他文献

TAKEUCHI Yoshio的其他文献

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{{ truncateString('TAKEUCHI Yoshio', 18)}}的其他基金

Design & Synthesis of Novel Enantioselctive Fluorinationg Agents
新型对映选择性氟化剂的设计与合成
  • 批准号:
    10557206
  • 财政年份:
    1998
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for Scientific Research (B).
Efficient preparation of a highly versatile chiral derivatizing agent, CFTA, for determination of absolute configurations.
高效制备高度通用的手性衍生剂 CFTA,用于确定绝对构型。
  • 批准号:
    10470465
  • 财政年份:
    1998
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for Scientific Research (B).
Novel Fluorinated Bioorganic Molecules for the 21st Century
21 世纪的新型氟化生物有机分子
  • 批准号:
    09044277
  • 财政年份:
    1997
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for international Scientific Research
Development of Electrophilic and Enantioselective Fluorinating Agents based on Fine Chemisty Design
基于精细化学设计的亲电和对映选择性氟化剂的开发
  • 批准号:
    07807193
  • 财政年份:
    1995
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for Scientific Research (C)
Synthesis and Utilization of Fluorine-containing Chiral Building Blocks for Development of the New Type of Drugs
含氟手性结构单元的合成和利用用于新型药物的开发
  • 批准号:
    07557304
  • 财政年份:
    1995
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for Scientific Research (B)
Development of the Reagents for Electrophilic Fluorination Directing for New Type of Medicinals
新型药物亲电氟化导向试剂的研制
  • 批准号:
    05807199
  • 财政年份:
    1993
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for General Scientific Research (C)
Development of A New Reagent for Ee Determination with High Resolution Based on the Fine Chemistry Designing
基于精细化学设计的高分辨率Ee测定新试剂的研制
  • 批准号:
    02670949
  • 财政年份:
    1990
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for General Scientific Research (C)
Synthesis of Monofluoro Building Blocks Designed from Fine Chemistry Viewpoint and Development of Fluorine-containing Medicinals
从精细化学角度设计单氟砌块的合成及含氟药物的开发
  • 批准号:
    02557086
  • 财政年份:
    1990
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for Developmental Scientific Research (B)
Synthesis and Application of Versatile Monofluoro Building Blocks by Manipulation of the Multifunctional Carbon Compounds.
通过操纵多官能碳化合物合成和应用多功能单氟砌块。
  • 批准号:
    62570934
  • 财政年份:
    1987
  • 资助金额:
    $ 1.54万
  • 项目类别:
    Grant-in-Aid for General Scientific Research (C)

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职业:揭示成核前团簇的结构和稳定性及其在结晶途径和最终晶体结构中的作用
  • 批准号:
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    23K18001
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    2023
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与微金刚石共存的高压含水矿物的晶体结构及地幔深部供水
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SBIR 第一阶段:基于物理的机器学习平台,用于小药物分子晶体结构预测
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    2305154
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