Molecular geometry

Results: 219



#Item
181Mathematical chemistry / Molecular descriptor / Medicinal chemistry / Pharmacology / Encodings / Select / Molecule / Molecular geometry / Simplified molecular-input line-entry specification / Cheminformatics / Science / Chemistry

ADRIANA.Code Algorithms for the Encoding of Molecular Structures Version[removed]Program Description Molecular Networks GmbH Computerchemie

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Source URL: www.molecular-networks.com

Language: English - Date: 2013-07-30 10:12:56
182Photography / Competition / Figure skating / Atomic /  molecular /  and optical physics / Electromagnetic radiation / Image processing / Digital geometry / Digital image

Victoria Camera Club - Competitions[removed]The VCC Competitions Committee (the Committee), with the support of the Club Executive, created a very successful three-level monthly competition structure last year that ach

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Source URL: www.victoriacameraclub.org

Language: English - Date: 2014-04-04 11:55:11
183Geometry / DNA / Molecular biology / Genetics / DNA supercoil / Abstract algebra / Tangle / Torus knot / Configuration / Helices / Knot theory / Topology

Microsoft Word - TopoICE-Rexamples.doc

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Source URL: www.knotplot.com

Language: English - Date: 2007-05-31 13:37:57
184Computational chemistry / Molecular dynamics / Hamiltonian mechanics / Nosé–Hoover thermostat / Classical mechanics / Symplectic geometry / Hamiltonian / Physics / Chemistry / Science

THE JOURNAL OF CHEMICAL PHYSICS 126, 1 共2007兲 Hamiltonian dynamics of thermostated systems: Two-temperature 4 2 heat-conducting ␾ chains 1

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Source URL: www.williamhoover.info

Language: English - Date: 2007-05-02 14:20:53
185Protein methods / Chemistry / Protein structure / Helices / Computational chemistry / Root-mean-square deviation / Protein structure prediction / Alpha helix / CASP / Bioinformatics / Statistics / Biology

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

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Source URL: www.ram.org

Language: English - Date: 2005-12-27 20:34:08
186Crystal / Orbital hybridisation / Chemical bond / Molecular geometry / Erich Hückel / Chemistry / Quantum chemistry / Chemical bonding

J . Am. Chem. SOC.1986, 108, [removed]Acknowledgment. Initial parts of this work were supported by the Department of Energy (Contract No. DE-AM03-76SF00767; Project Agreement No. DE-AT03-80ER10608), and completion of t

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Source URL: www.carbonsolution.com

Language: English - Date: 2013-12-16 12:44:16
187Quantum chemistry / Orbital hybridisation / Trigonal planar molecular geometry / Dihedral angle / Angle / Crystal / Chemistry / Chemical bonding / Stereochemistry

4164 J. Phys. Chem. A 2001, 105, [removed]COMMENTS Comment on the Relationship of the

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Source URL: www.carbonsolution.com

Language: English - Date: 2013-04-28 15:39:50
188Application software / ShelXle / Coot / Molecular geometry / Electron density / Single wavelength anomalous dispersion / Science / Crystallography / Chemistry

ShelXle: a Qt graphical user interface for SHELXL

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Source URL: journals.iucr.org

Language: English - Date: 2014-04-05 16:25:41
189Computational chemistry / Molecular physics / Quantum chemistry / Molecular mechanics / Chemical bond / Alkane stereochemistry / Molecule / Van der Waals force / Molecular geometry / Chemistry / Intermolecular forces / Molecular modelling

The Anatomy of a Molecular Mechanics Force-Field The mechanical molecular model considers atoms as spheres and bonds as springs. The mathematics of spring deformation can be used to describe the ability of bonds to stret

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Source URL: www.chem.ox.ac.uk

Language: English - Date: 2006-01-23 08:29:04
190Stereochemistry / Molecular geometry / Theoretical chemistry / Orbital hybridisation / VSEPR theory / Chemical bond / Non-bonding orbital / Molecular orbital / Trigonal pyramidal molecular geometry / Chemistry / Chemical bonding / Quantum chemistry

5-1 Molecular Shapes Laboratory Introduction to VSEPR Theory This laboratory introduces the concept of Valence Shell Electron Pair Repulsion (VSEPR) theory and the molecular geometry and bonding that it describes. In th

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Source URL: www.webmo.net

Language: English - Date: 2008-07-25 14:35:21
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