Rounding errors can cause your program to break symmetry, or your program may not be very good at guessing the point group of your molecule based on the Cartesian coordinates alone.Īs a preface, programs like Gaussian convert your Cartesian coordinate space (or your pre-defined Z-matrix) into redundant internal coordinates before proceeding with an optimization routine unless you specify it to stick with Cartesians or your Z-matrix. With Cartesian space this is not guaranteed. Whatever program you use should automatically recognize the constraint and will optimize your molecule accordingly giving you an answer based off a structure that is constrained to C2v symmetry. You would construct your Z-matrix to define the OH(1) bond as being equivalent to the OH(2) bond. ![]() With a Z-matrix, the process is very straightforward. When using some sort of optimizing routine, you may want to specify symmetry in your system. The OH bond lengths should be equivalent. We know from experience that this molecule has C2V symmetry. When performing complex computations, the less you have to keep track of, the less expensive the computation.Ĭonsider the following molecule, H2O. For linear molecules we keep tabs on 3N-5 coordinates. Using internal coordinates reduces our 3N requirement set by the Cartesian space down to a 3N-6 requirement (for non-linear molecules). With Z-matrices, we keep tabs on internal coordinates: bond length (R), bond angle (A), and torsional/dihedral angle (T/D). We increased the distance between the two atoms by some length R. What did we change? We simply changed the bond length, one variable. We now have altered the molecule in such a way that the properties of that molecule has changed. However, say we increase the distance between the hydrogen atoms. An H2 molecule centered around the origin (0,0,0) is no different from the same H2 molecule being centered around (1,1,1). ![]() The translation of the molecule through space (assuming a vacuum) will have no affect on the properties of the molecule. A point located at (0,0,1) is an absolute location for a coordinate space that extends to infinity. Cartesian space is 'absolute' so to speak. When dealing with Z-matrices, we keep track of the relative positions of points in space. The general ruling is that for Cartesian space, 3N variables must be accounted for (where N is the number of points in space you wish to index). To describe the locations of two atomic nuclei, a total of 6 variables must be written down and kept track of. The half life of each compound is over 48hrs so any synergetic effect would still be effective.In Cartesian space, three variables (XYZ) are used to describe the position of a point in space, typically an atomic nucleus or a basis function. Your body reacts to change when it gets uste to something it doesnt work as well. Let each compound do what it does to build muscle on there own day. I also believe that if your taking two steroids like tren and test together then just take one per day. If your always perfectly balanced then you dont get peak days where your just killing it at the gym. I go by anecdotal evidence and from my experience i think there is something to be said for peaks in hormone levels. ![]() From my experience most strength athletes have different ideas then most some would say we have lots of "wife's tales" or really just bro science to the extreme. I come from a strongman background so I may have been taught to cycle a little different then most other bodybuilders. ![]() I agree that the more you spread out your total mg's the more stable your blood levels are but I'm not convinced that's necessarily better. Are you saying if i bang everyday it eliminates my acne? im already bald & im naturaly agressive i handle it well but i get painful big boil like acne on my back i usaly rock tren & prop in the same rig, so would i lower dose some or just what i hit everyday? ill try this its worth a tryMost would say that the more you space out your overall total milligrams the better.
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