Z- matrix of Ethane, How to write a Z-Mtarix, and some examples Benzene, water,Acetylene, Ethylene

Z- matrix for Ethane


A sample Z-matrix for the staggered conformation of Ethane (see the fig 1.) as follows:

S.No. Atom B.L Atom No. Angle Atom No. Dihedral angle Atom no.



1 C

2 C 1.54 1

3 H 1.0 1 109.5 2

4 H 1.0 2 109.5 1 180.0 3

5 H 1.0 1 109.5 2 180.0 4

6 H 1.0 2 109.5 1 180.0 5

7 H 1.0 1 109.5 2 180.0 6

8 H 1.0 2 109.5 1 180.0 7



Fig. 1 Staggered conformation of ethane

In the first line of Z-matrix we define atom 1, which is a carbon atom.

Atom number 2 is also a carbon atom that is distance of 1.54 Ao from atom 1(column 3 and 4).

Atom 3 is a hydrogen atom that is bonded to atom 1with a bond length od 1 Ao. The angle formed by atoms 2-1-3 is 109.50, information that is specified in column 5 and 6.

Atom 4 is a hydrogen atom that is bonded to atom 2 with a bond length od 1 Ao. The angle formed by atoms 1-2-4 is 109.50, information that is specified in column 5 and 6. Etc…..

Z-Matrix of Benzene:


C



H 1 1.082


C 1 1.387 2 120.0


H 3 1.082 1 120.0 2 0.0


C 3 1.387 1 120.0 4 180.0


H 5 1.082 3 120.0 4 0.0


C 5 1.387 3 120.0 6 180.0


H 7 1.082 5 120.0 6 0.0


C 7 1.387 5 120.0 8 180.0


H 9 1.082 7 120.0 8 0.0


C 9 1.387 7 120.0 10 180.0


H 11 1.082 9 120.0 10 0.0


Z-matrix of Ethylene:

 H



C 1 HC


H 2 HC 1 A1


C 2 CC 3 A1 1 D1


H 4 HC 2 A1 1 D1


H 4 HC 2 A1 1 D2






HC = 1.08


CC = 1.4


A1 = 120.0


D1 = 180.0


D2 = 0.0

Z-Matrix Of Water

 
 
H



O 1 OH


H 2 OH 1 OHO






OH = 1.08


OHO = 107.5

Z-Matrix of Acetylene:
 

H



C 1 HC


X 2 XL 1 A1


C 2 CC 3 A1 1 D1


X 3 XL 2 A1 4 D2


H 4 HC 5 A1 2 D1






HC = 1.08


XL = 1.0


CC = 1.2


A1 = 90.0


D1 = 180.0


D2 = 0.0

Does the data for the report have to come from a SQL Server database?

No. Data can come from any source. It is the host application's responsibility to collect data from whatever source it needs to come from, and supply it to the control in the form of ADO.NET DataTables or a collection of business objects. The ReportViewer control does not know or care where the data is coming from.

Is a SQL Server license required to use the ReportViewer control?

No. The ReportViewer control is freely redistributable. It can work independently of SQL Server ('local mode') and a SQL Server license is not required. In remote mode the ReportViewer control talks to a Report Server. The Report Server does require a SQL Server license.

Does SQL Server have to be installed in order to use the ReportViewer control?

No. The only prerequisite of the ReportViewer control is .NET Framework.

Is the ReportViewer control included in SQL Server?

 No. Report Server is a component of SQL Server, but the ReportViewer control is not. ReportViewer is only included in Visual Studio 2005/2008/2010.

What are the new features in ReportViewer 2010?interview Questions

ReportViewer 2010 supports RDL 2008 features such as Tablix, Rich Text and Gauges. Other enhancements include support for ASP.NET AJAX.

.NET Framework Version 3.5, LINQThe components of LINQ that are part of the .NET Framework 3.5 are,Expression Trees,

Vii).LINQ

Language-Integrated Query (LINQ) is a new feature in Visual Studio 2008 and the .NET Framework 3.5. LINQ extends powerful query capabilities to the language syntax of C# and Visual Basic in the form of standard, easily-learned query patterns. This technology can be extended to support potentially any kind of data store. The .NET Framework 3.5 includes LINQ provider assemblies that enable the use of LINQ for querying .NET Framework collections, SQL Server databases, ADO.NET Datasets, and XML documents.

1).The components of LINQ that are part of the .NET Framework 3.5 are:

The System.Linq namespace, which contains the set of standard query operators and types and interfaces that are used in the infrastructure of a LINQ query. This namespace is in the System.Core.dll assembly.

The System.Data.Linq namespace, which contains classes that support interaction with relational databases in LINQ to SQL applications.

The System.Data.Linq.Mapping namespace, which contains classes that can be used to generate a LINQ to SQL object model that represents the structure and content of a relational database.

The System.Xml.Linq namespace, which contains the classes for LINQ to XML. LINQ to XML is an in-memory XML programming interface that enables you to modify XML documents efficiently and easily. Using LINQ to XML, you can load XML, serialize XML, create XML trees from scratch, manipulate in-memory XML trees, and validate by using XSD. You can also use a combination of these features to transform XML trees from one shape into another.

New types in the System.Web.UI.WebControls and System.Web.UI.Design.WebControls namespaces. These new types, such as LinqDataSource, support the use of LINQ in ASP.NET Web pages through a data source control.

The DataRowComparer, DataRowExtensions, and DataTableExtensions classes in the System.Data namespace support LINQ queries against ADO.NET DataSet objects.

In the class library, the LINQ extension methods that apply to a class are listed in the members page for the class, in the Contents pane, and in the Index pane.

2).Expression Trees

Expression trees are new in the .NET Framework 3.5, and provide a way to represent language-level code in the form of data. The System.Linq.Expressions namespace contains the types that are the building blocks of expression trees. These types can be used to represent different types of code expressions, for example a method call or an equality comparison.

Expression trees are used extensively in LINQ queries that target remote data sources such as a SQL database. These queries are represented as expression trees, and this representation enables query providers to examine them and translate them into a domain-specific query language.

The System.Linq.Expressions namespace is in the System.Core.dll assembly.