On the numerical errors in one step algorithms for time dependent problems

1982 ◽  
Vol 38 (1) ◽  
pp. 31-37 ◽  
Author(s):  
S. Pissanetzky ◽  
F. G. Basombr�o
Keyword(s):  
Time Dependent ◽  
Numerical Errors ◽  
One Step ◽  
Time Dependent Problems

Synthesis of Polycycles and Oxacycles by Tandem Metathesis of endo–norbornene Derivatives

Synthesis ◽  
2021 ◽  
Author(s):  
Sambasivarao Kotha ◽  
Sunil Pulletikurti ◽  
Ambareen Fatma ◽  
gopal dhangar ◽  
gonna somu Naidu
Keyword(s):  
Natural Products ◽  
Metal Complex ◽  
Carbonyl Group ◽  
Single Step ◽  
Time Dependent ◽  
Computational Studies ◽  
Nmr Studies ◽  
Tricyclic Compounds ◽  
One Step ◽  
Norbornene Derivatives

Here, we have demonstrated that the presence of a carbonyl group at C7 position is preventing the olefin metathesis of endo-norbornene derivatives due to the complexation of the metal alkylidene. Time-dependent NMR studies showed the presence of new proton signals in the metal alkylidene region, which indicate the formation of metal complex with the carbonyl group of the substrate. These observations were further proved by ESI-MS analysis. Whereas, computational studies provided that the catalyst was interacting with the C7 carbonyl group and aligned perpendicular to that of norbornene olefin. Later, these endo-keto norbornene derivatives were reduced to hydroxyl derivatives diastereoselectively. Ring-rearrangement metathesis (RRM) of these hydroxyl derivatives, produced the [6/5/6], and [5/6/5] carbo-tricyclic cores of the natural products in one step. Whereas the RRM of O-allyl derivatives, delivered the oxa-tricyclic compounds in a single step with excellent yields.

scholarly journals pyNIROM—A suite of python modules for non-intrusive reduced order modeling of time-dependent problems

2021 ◽  
Vol 10 ◽  
pp. 100129
Author(s):  
Sourav Dutta ◽  
Peter Rivera-Casillas ◽  
Orie M. Cecil ◽  
Matthew W. Farthing
Keyword(s):  
Reduced Order Modeling ◽  
Time Dependent ◽  
Reduced Order ◽  
Time Dependent Problems

scholarly journals Solving time-dependent problems by an RBF-PS method with an optimal shape parameter

2009 ◽  
Vol 181 ◽  
pp. 012053 ◽  
Author(s):  
A M A Neves ◽  
C M C Roque ◽  
A J M Ferreira ◽  
C M M Soares ◽  
R M N Jorge
Keyword(s):  
Shape Parameter ◽  
Optimal Shape ◽  
Time Dependent ◽  
Time Dependent Problems

scholarly journals A new approximation method for time-dependent problems in quantum mechanics

2005 ◽  
Vol 340 (1-4) ◽  
pp. 87-93 ◽  
Author(s):  
Paolo Amore ◽  
Alfredo Aranda ◽  
Francisco M. Fernández ◽  
Hugh Jones
Keyword(s):  
Quantum Mechanics ◽  
Approximation Method ◽  
Time Dependent ◽  
Time Dependent Problems

scholarly journals Transparent Boundary Conditions for Time-Dependent Problems

2008 ◽  
Vol 30 (5) ◽  
pp. 2358-2385 ◽  
Author(s):  
Daniel Ruprecht ◽  
Achim Schädle ◽  
Frank Schmidt ◽  
Lin Zschiedrich
Keyword(s):  
Boundary Conditions ◽  
Time Dependent ◽  
Transparent Boundary Conditions ◽  
Time Dependent Problems
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