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Ab Initio
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311	BSSE-Corrected Geometry and Harmonic and Anharmonic Vibrational Frequencies of Formamide–Water and Formamide–Formamide Dimers A. BENDE,1,2 S. SUHAI2 1 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:46:16 Theoretical chemistry Chemical bonding Basis set superposition error Intermolecular forces Ab initio quantum chemistry methods Crystal Møller–Plesset perturbation theory Water dimer Hydrogen bond Chemistry Quantum chemistry Computational chemistry
312	J. Phys. Chem. A 2001, 105, [removed]10525 Structure and Stability of Water Clusters (H2O)n, n[removed]: An Ab Initio Investigation Shruti Maheshwary, Nitin Patel, and Narayanasami Sathyamurthy* Add to Reading List Source URL: home.iitk.ac.in Language: English - Date: 2005-08-08 10:24:08 Hydrogen bond Supramolecular chemistry Water dimer Properties of water Resonance Chemistry Chemical bonding Cluster chemistry
313	doi:[removed]jmbi[removed]available online at http://www.idealibrary.com on J. Mol. Biol[removed], 171±185 Ab Initio Construction of Protein Tertiary Structures Using a Hierarchical Approach Add to Reading List Source URL: www.ram.org Language: English - Date: 2005-12-27 20:36:31 Biology Protein methods Science Computational chemistry Molecular modelling Protein structure prediction De novo protein structure prediction Energy landscape Molecular dynamics Protein structure Bioinformatics Chemistry
314	Polish J. Chem., 74, 1829–[removed]SUBJECT INDEX – VOLUME[removed]Inorganic and Physical Chemistry ab initio calculations, 245, 1723 activated carbons, 1473 Add to Reading List Source URL: malina.ichf.edu.pl Language: English - Date: 2003-11-14 05:03:00 Transition metals Chelating agents Triphenylphosphine Coordination complex Cyanate Triphenyl phosphite Chemistry Coordination chemistry Pyridine
315	Article No. jmbi[removed]available online at http://www.idealibrary.com on J. Mol. Biol[removed], 267±281 Ab Initio Fold Prediction of Small Helical Proteins using Distance Geometry and Knowledge-based Add to Reading List Source URL: www.ram.org Language: English - Date: 2005-12-27 20:35:03 Protein methods Statistics Chemistry Computational chemistry Root-mean-square deviation Protein structure prediction Threading CASP Alpha helix Bioinformatics Biology Protein structure
316	Prorein Science[removed]: [removed]Cambridge University Press. Printed in the USA Copyright[removed]The Protein Society Add to Reading List Source URL: www.ram.org Language: English - Date: 2005-12-27 20:33:58 Biology Chemistry Biochemistry Protein structure prediction De novo protein structure prediction Biomolecular structure Protein domain Ab initio Protein secondary structure Protein structure Bioinformatics Protein methods
317	The color of shock waves in photonic crystals Evan J. Reed,∗ Marin Soljaˇci´c, and John D. Joannopoulos Department of Physics, Massachusetts Institute of Technology, Cambridge, MA[removed]Dated: March 17, [removed]Abstr Add to Reading List Source URL: ab-initio.mit.edu Language: English - Date: 2003-05-25 14:33:07 Waves Photonics Condensed matter physics Photonic crystal Photonic metamaterial Shock wave Nonlinear optics Group velocity Wavelength Physics Optics Metamaterials
318	Tools and Methods for Multiscale Biomolecular Simulations Celeste Sagui Department of Physics, NC State University, Raleigh, NC Outline Add to Reading List Source URL: www.mcc.uiuc.edu Language: English - Date: 2011-12-30 23:13:08 Theoretical chemistry Multigrid method Numerical analysis Force field Ewald summation Implicit solvation Ab initio quantum chemistry methods Density functional theory AMBER Chemistry Computational chemistry Molecular modelling
319	New Paradigms in Chemistry Ab Initio-Ad futurum Add to Reading List Source URL: www.stmaryssby.com Language: English - Date: 2014-02-28 02:00:37 Wayanad district Kerala Geography of India Geography of Kerala Sultan Bathery Kozhikode
320	Ab initio protein structure prediction results using a simple distance geometry-based method Enoch Huang1 Ram Samudrala2 and Jay Ponder1 1 Department of Biochemistry and Molecular Biophysics Add to Reading List Source URL: www.ram.org Language: English - Date: 2005-12-27 20:34:08 Protein methods Chemistry Protein structure Helices Computational chemistry Root-mean-square deviation Protein structure prediction Alpha helix CASP Bioinformatics Statistics Biology