Molecular orbital

Results: 277



#Item
51Quantum chemistry / Molecular physics / Molecular modelling / Molecular orbital / Linear combination of atomic orbitals / Gaussian orbital / Force field / Quantitative structure–activity relationship / Drug design / Chemistry / Theoretical chemistry / Computational chemistry

Pure&Appl. Chem.,Vol. 69, No. 5, pp, 1997. Printed in Great BritainIUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY

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Source URL: old.iupac.org

Language: English
52Computational chemistry / Theoretical chemistry / Atomic physics / Chemical bonding / Hartree–Fock method / Atomic orbital / Slater determinant / Molecular orbital / Spin contamination / Chemistry / Physics / Quantum chemistry

f Solid State Physics Peter E. Blöchl

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Source URL: orion.pt.tu-clausthal.de

Language: English - Date: 2012-05-09 14:28:53
53Spectroscopy / Molecular physics / Emission spectroscopy / Atomic physics / Photoemission spectroscopy / Orbital hybridisation / Electron configuration / Valence band / Electron / Chemistry / Physics / Quantum chemistry

Photon Factory Activity Report 2006 #24 Part BElectronic Structure of Condensed Matter 2C/2005S2-002 Electronic structures of (SrTiO3)1-x(La0.6Sr0.4MnO3)x mixed-crystal films

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Source URL: pfwww.kek.jp

Language: English - Date: 2010-01-05 10:33:42
54Chemical bonding / Atomic physics / Molecular physics / Theoretical chemistry / Electron / Atomic orbital / Orbital hybridisation / Chemical bond / Hydrogen atom / Chemistry / Physics / Quantum chemistry

MODEL STRUCTURE OF THE ELECTRON, MASS, CHARGE AND SPIN

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Source URL: nadisa.org

Language: English - Date: 2015-04-28 16:44:41
55Atomic physics / Quantum chemistry / Chemical bonding / Molecular physics / Quantum electrodynamics / Electron configuration / Auger effect / Atomic orbital / Valence electron / Physics / Chemistry / Science

PHYSICAL REVIEW A 83, Impact of hollow-atom formation on coherent x-ray scattering at high intensity Sang-Kil Son (ddd),1,* Linda Young,2,† and Robin Santra1,3,‡ 1

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Source URL: www.zannavi.com

Language: English - Date: 2011-06-24 11:10:29
56Intermolecular forces / Supramolecular chemistry / Chemical bond / Hydrogen bond / Halogen bond / Atoms in molecules / Electron density / Molecular orbital / Molecule / Chemistry / Chemical bonding / Quantum chemistry

Heavy metals health risk assessment for population via consumption of vegetables grown in old mining area; a case study: Banat County, Romania

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Source URL: journal.chemistrycentral.com

Language: English
57Molecular geometry / Molecules / Stereochemistry / Theoretical chemistry / Crystal / Molecular orbital theory / Chemistry / Quantum chemistry / Diatomic molecule

Nagoya University Theoretical Chemistry Colloquium March 14, 2014 (Fri), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery

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Source URL: www.rcms.nagoya-u.ac.jp

Language: English - Date: 2015-04-17 00:31:59
58Robert Burns Woodward / Houk / Arthur C. Cope Award / Torquoselectivity / Organic reaction / Chemist / Roald Hoffmann / Frontier molecular orbital theory / 1 / 3-Dipolar cycloaddition / Chemistry / Kendall Houk / Quantum chemistry

Arthur C. Cope Award: Kendall N. Houk | Awards | Chemical ... http://pubs.acs.org/isubscribe/journals/cen/88/i08/html/8808awa... Chemical & Engineering News Serving the chemical, life sciences and laboratory worlds

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Source URL: www.chem.ucla.edu

Language: English - Date: 2010-03-31 18:46:35
59Nuclear chemistry / Computational chemistry / Nuclear technology / Chemical bond / Orbital hybridisation / Molecular orbital / Nuclear fission product / Oxygen / Chemistry / Quantum chemistry / Chemical bonding

Fission Product behaviour in UO2+/-x by atomic scale simulations

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Source URL: www.ne.anl.gov

Language: English - Date: 2013-10-28 18:06:49
60Atomic physics / Molecular physics / Ions / Theoretical chemistry / Electron / Energy level / Atomic orbital / Ion source / Plasma / Chemistry / Physics / Quantum chemistry

Absolute cross sections for excitation of the 2s S  2p P transition in B 

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Source URL: www-cfadc.phy.ornl.gov

Language: English - Date: 2006-12-04 14:17:21
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