Molecular orbital

Results: 277



#Item
41Computational chemistry / Hartree–Fock method / Crystal / Molecular orbital theory / Ab initio quantum chemistry methods / Electronic correlation / Coupled cluster / Molecular orbital / Full configuration interaction / Chemistry / Quantum chemistry / Theoretical chemistry

Pure & Appl. Chem.,Vol. 68, No. 2, pp, 1996. Printed in Great Britain. INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION

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Source URL: old.iupac.org

Language: English - Date: 2004-06-03 11:40:20
42Condensed matter physics / Environmental chemistry / Materials science / Spectroscopy / XANES / X-ray absorption fine structure / Photoemission spectroscopy / Electron / X-ray / Physics / Science / Scientific method

Highlights HIGHLIGHTS 1. Atomic and Molecular Science ...............................................................................................................5 1-1 Breakdown of the One-Electron Orbital Picture f

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Source URL: pfwww.kek.jp

Language: English - Date: 2010-01-05 10:34:29
43Atomic physics / Quantum chemistry / Molecular physics / Physical chemistry / Materials science / Auger effect / Interatomic Coulombic Decay / Atomic orbital / Photoemission spectroscopy / Chemistry / Physics / Science

1 Atomic and Molecular Science 1-1 B r e a k d o w n o f t h e O n e Electron Orbital Picture for the Xe N-Shell The one-electron orbital picture enables us to define core-hole states in atoms and molecules. However, inn

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Source URL: pfwww.kek.jp

Language: English - Date: 2010-01-05 10:34:19
44Scanning probe microscopy / Intermolecular forces / Atomic force microscopy / Microscopy / Molecular orbital / Core electron / Lipid bilayer characterization / Chemistry / Science / Quantum chemistry

Photon Factory Activity Report 2005 #23Part BSurface and Interface 7C/2005G201 Improvement of XANAM apparatus for chemical mapping

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Source URL: pfwww.kek.jp

Language: English - Date: 2010-01-05 10:32:24
45Chemical bonding / David Gallagher / Molecular orbital / MOPAC / Chemistry / Science / American Institute of Chemical Engineers

Microsoft PowerPoint - AIChE 2008-Nov Design Expts talk.ppt

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Source URL: www.cacheresearch.com

Language: English - Date: 2008-11-21 16:19:00
46Quantum chemistry / Quantum mechanics / Chemical bonding / Spectroscopy / Atomic orbital / Electron / Ionization energy / Schrödinger equation / Molecular orbital / Physics / Chemistry / Atomic physics

PDF Document

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Source URL: ihome.ust.hk

Language: English - Date: 2011-05-17 17:48:44
47Quantum chemistry / Molecular orbital theory / Molecular orbital / Atomic orbital / Orbital hybridisation / Chemical bond / Valence bond theory / Linear combination of atomic orbitals / Schrödinger equation / Chemistry / Physics / Chemical bonding

Equilibrium Electrochemistry (Ch10)

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Source URL: ihome.ust.hk

Language: English - Date: 2011-05-11 04:41:58
48Condensed matter physics / Environmental chemistry / Spectroscopy / Surface chemistry / XANES / Molecular orbital / Adsorption / Hydrogen atom / Hydrogen / Chemistry / Science / Materials science

Photon Factory Activity Report 2010 #28 Part BSurface and Interface 11A, 13C/2008G156 A theoretical interpretation of NEXAFS and XPS of a deuterated hexagonal

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Source URL: pfwww.kek.jp

Language: English - Date: 2012-01-30 04:32:45
49Molecular physics / Atomic physics / Orbital hybridisation / Stereochemistry / Electron configuration / Stellar classification / Monochromator / Chemistry / Quantum chemistry / Spectroscopy

Photon Factory Activity Report 2005 #23 Part BElectronic Structure of Condensed Matter 2C/2004G013 Soft X-ray emission study of BaTiO3 nanoparticles

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Source URL: pfwww.kek.jp

Language: English - Date: 2010-01-05 10:32:16
50Spectroscopy / Molecular physics / Surface chemistry / X-ray photoelectron spectroscopy / Ultraviolet photoelectron spectroscopy / Photoemission spectroscopy / Orbital hybridisation / Ion / Graphene / Chemistry / Physics / Science

Photon Factory Activity Report 2011 #B 13A/2009S2-007 Mixed valence state of TNAP on Bi(001) Tatsuhiko Nishi1*, Takuya Kuzumaki2, Masayuki Yamamoto2 and Kazuyuki Sakamoto2

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Source URL: pfwww.kek.jp

Language: English - Date: 2013-01-15 01:15:43
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