1.
Two-Dimensional Grid Search
Feb 12, 2004 ... A two-dimensional grid search calculates the properties of geometries corresponding to a set of points in a grid of user-defined size in two ...
2.
Master Chimie - Master Science et Technologies (MST) Mention ...
However, Université Bordeaux I and UFR de Chimie will not be legally liable for any informtion found on this site. Université Bordeaux I and UFR de Chimie ...
3.
Configuration Interaction
AMPAC™8 offers users a vastly improved and expanded configuration interaction (CI) capability when compared to other semiempirical programs. ...
4.
Semiempirical Methods and Parameters
The mode of calculation of TERIs is extremely important in semiempirical methods of the MNDO/AM1 family as other quantities depend on their values, ...
5.
/etc/qconfig, the Spooler Configuration File
/etc/qconfig describes all of the queues defined to the AIX operating system; a queue is a named, ordered list of requests for a specific device. ...
6.
Socket Shutdown
The setsockopt subroutine, using the linger option, takes a linger structure. When an application program indicates that a socket is to linger, ...
7.
AMSOL Model Module
nuc. reorganization energy of solute -4.678 kcal (7) = (1) - (0) (8) DeltaG-ENP(s) elect.-nuc.-pol. free energy of solvation -5.147 kcal (8) = (3) - (0) (9) ...
8.
Reaction Pathway
Feb 12, 2004 ... Ethane rotational barrier Reaction Path calculation C 0.000000 0 0.000000 0 ... (fax) FORMULA: C2H6 Ethane rotational barrier Reaction Path ...
9.
Reaction Pathway
Feb 12, 2004 ... Reaction Pathway. This example illustrates the use of the reaction coordinate method for locating an approximate transition state for ...
10.
Host Access Class Library Support Package Information
The IBM eNetwork Host Access Class Library (or Host Access API) for Java provides a core set of classes and methods that allow the development of ...
