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- PSNC Institutional Repository > Computational Methods in Science and Technology
- PSNC Institutional Repository > Computational Methods in Science and Technology > 2003
- PSNC Institutional Repository > Computational Methods in Science and Technology > 2003 > Volume 9(1)2003
Last modified:
Jul 30, 2014
In our library since:
May 23, 2014
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115
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https://lib.psnc.pl/publication/644
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Volume 9(1) 2003
- Scientific Achievements of Professor Jacek Rychlewski(1947-2003)
- Variational Calculations on the 2P1/2 Ground State of Boron Atom Using Hydrogenlike Orbitals
- Explicitly Correlated Wave Functions in Quantum Monte Carlo
- Evaluation of Rail Traffic Quality in Poznań by Computer Simulation
- Parametrization of 2-Aminopurine and Purine in Charmm All-Atom Empirical Force Field
- Efficiency of Matrix Elements Computations on Parallel Systems
- Theoretical Studies of 1H, 13c and 15N NMR Spectra for Model Structures Of N-Methylmorpholinium and N-Methylpiperidinium Betaines
- Connected Triple Excitations in the Equation-Of-Motion Coupled Cluster Calculations of the Energies and Properties of Excited States: HCN Molecule
- Non-Born-Oppenheimer Calculations of H3
- Increasing the Stability of Linear r12-Calculations on the Multi-Reference Level of Theory
- Hydroxycarboxylic Acids in Chiral Recognition: Modeling the Amine – Hydroxycarboxylic Acid Interactions
- Two Interacting Particles in a Parabolic Well: Harmonium and Related Systems
- Exponentially Correlated Gaussian Functions in Variational Calculations. The Ef 1∑+g State of Hydrogen Molecule
- Ab Initio Server Prototype for Prediction of Phosphorylation Sites in Proteins
| Edition name | Date |
|---|---|
| Parametrization of 2-Aminopurine and Purine in Charmm All-Atom Empirical Force Field | Jul 30, 2014 |
