Theoretical chemistry

Results: 969



#Item
451Condensed matter physics / Magnetism / Theoretical chemistry / Bethe ansatz / 0I / Spin / Operator / Hamiltonian / Eigenvalue perturbation / Physics / Operator theory / Quantum chemistry

The XXZ Spin chain The Hamiltonian We will study a spin chain consisting of L spin- 21 particles. Let us introduce the usual raising and lowering spin operators S ± = S x ± iS y , such that S + | ↑i = 0,

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Source URL: www.itp.phys.ethz.ch

Language: English - Date: 2013-04-22 11:45:18
452Quantum chemistry / Theoretical chemistry / Physical organic chemistry / Quantum electrodynamics / Conjugated system / Chemical bond / Electron / Hans Kuhn / Molecular orbital / Chemistry / Physics / Chemical bonding

CHEM 332L Physical Chemistry Laboratory Revision 2.1 Conjugated Bonding in Cyanine Dyes: A "Particle In A Box" Model In this laboratory exercise we will examine the Visible Spectra of a series of Cyanine Dye

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Source URL: infohost.nmt.edu

Language: English - Date: 2012-02-20 20:18:05
453Density functional theory / Computational chemistry / Quantum chemistry / Theoretical chemistry / Time-dependent density functional theory / Crystal / Perturbation theory / Spectrum / Car–Parrinello method / Physics / Chemistry / Science

DOI:[removed]C1A0802001 Atti dell’Accademia Peloritana dei Pericolanti Classe di Scienze Fisiche, Matematiche e Naturali Vol. LXXXVI, C1A0802001[removed]Adunanza del 29 novembre 2007

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Source URL: cab.unime.it

Language: English - Date: 2010-04-13 05:40:10
454Chemical engineering / Enzyme / Biochemistry / Chemical reaction / Chemical kinetics / Protein folding / Mathematical and theoretical biology / Mepco Schlenk Engineering College / Chemistry / Catalysis / Biology

ANNA UNIVERSITY OF TECHNOLOGY MADURAI MADURAI – [removed]AFFILIATED INSTITUTIONS REGULATION[removed]B.Tech. BIOTECHNOLOGY

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Source URL: autmdu.ac.in

Language: English - Date: 2011-04-28 04:24:26
455Atomic physics / Quantum chemistry / Theoretical chemistry / Computational chemistry / Leo Kadanoff / Electronic correlation / Electron / Hartree–Fock method / Physics / Chemistry / Science

[removed]karsten Balzer

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Source URL: www.cfel.de

Language: English - Date: 2013-05-15 18:52:00
456Chemical kinetics / Chemical engineering / Stochastic processes / Systems biology / Catalysis / Mathematical and theoretical biology / Gene regulatory network / Gillespie algorithm / Chemical reaction / Chemistry / Physical chemistry / Science

Asia Pacific Mathematics Newsletter July 2012 www.asiapacific-mathnews.com

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Source URL: www.austms.org.au

Language: English - Date: 2012-07-31 22:40:14
457Quantum mechanics / Operator theory / Computational chemistry / Hamiltonian mechanics / Mathematical physics / Symbol / Perturbation theory / Operator / Hamiltonian / Physics / Mathematical analysis / Theoretical physics

Problems Chapter 9 Quantum Mechanics K. Konishi, G. Paffuti Problem 1 Consider the Hamiltonian H = H0 + H1 , where

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Source URL: www.df.unipi.it

Language: English - Date: 2009-10-12 07:15:15
458Bond-dissociation energy / Boron nitride / Crystal / Hydrogen bond / Bond energy / Chemical bond / Force field / Diborane / Bond length / Chemistry / Chemical bonding / Borazine

THE JOURNAL OF CHEMICAL PHYSICS 123, 114703 共2005兲 The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFFHBN development Sang Soo Han, Jeung K

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Source URL: authors.library.caltech.edu

Language: English - Date: 2012-12-26 03:44:00
459Cheminformatics / Mathematical chemistry / Spectroscopy / Algebraic graph theory / Theoretical chemistry / Topological index / Laplacian matrix / Eigenvalues and eigenvectors / Molecular vibration / Chemistry / Mathematics / Algebra

Strathprints Institutional Repository Estrada, E. and Hatano, N. and , University of Strathclyde, New Professors Fund (Funder[removed]Topological atomic displacements, Kirchhoff and Wiener indices of molecules. Chemical

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Source URL: strathprints.strath.ac.uk

Language: English - Date: 2014-09-05 18:23:32
460Theoretical chemistry / Metadynamics / Chemistry / Molecular dynamics / Computational chemistry

DOC Document

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Source URL: www.qro.cinvestav.mx

Language: English - Date: 2012-06-16 01:00:46
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