Works matching Valence Shell
Results: 272
Electronic structure of two isostructural 'paddle‐wheel' complexes: a comparative study.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2018, v. 74, n. 6, p. 681, doi. 10.1107/S2052520618013707
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- Article
Valence‐Shell Electron‐Pair Repulsion Theory Revisited: An Explanation for Core Polarization.
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- Chemistry - A European Journal, 2019, v. 25, n. 46, p. 10938, doi. 10.1002/chem.201902244
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- Article
Theoretical study of one-electron bonds in a series of high-spin lithium–beryllium–hydrogen clusters: “Valence shell single-electron repulsion” rule and electron localization function analysis.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 1, p. 72, doi. 10.1002/qua.21020
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- Article
Optical oscillator strengths of the valence-shell excitations of atoms and molecules determined by the dipole ( γ,γ) method.
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- European Physical Journal D (EPJ D), 2017, v. 71, n. 7, p. 1, doi. 10.1140/epjd/e2017-70812-8
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- Article
VALENCE- AND INNER-SHELL SPECTROSCOPY ON RARE-GAS CLUSTERS.
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- Surface Review & Letters, 1996, v. 3, n. 1, p. 299, doi. 10.1142/S0218625X96000553
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- Article
An experimental and theoretical investigation of the valence shell photoelectron spectrum of cyanogen chloride.
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- Molecular Physics, 2000, v. 98, n. 23, p. 1939, doi. 10.1080/00268970009483397
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- Article
Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering.
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- Nature Communications, 2017, v. 8, n. 6, p. 15651, doi. 10.1038/ncomms15651
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- Article
Directly imaging excited state-resolved transient structures of water induced by valence and inner-shell ionisation.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41204-x
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- Article
Theoretical study of the valence and K‐shell spectra of atmospherically relevant CO2.
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- International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 502, doi. 10.1002/qua.10860
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- Article
Probing Optical Phenomena of Si@MoS2 Core-Shell Architectures at Nanoscale by Valence EELS.
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- 2022
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- Abstract
All-valence-shell molecular orbital calculations on the chiroptical properties of substituted and unsubstituted 2,5-diketopiperazine structures.
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- Biopolymers, 1974, v. 13, n. 4, p. 703, doi. 10.1002/bip.1974.360130406
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- Article
Valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole.
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- Molecular Physics, 2025, v. 123, n. 2, p. 1, doi. 10.1080/00268976.2024.2353878
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- Article
Valence shell electronically excited states of imidazole and 1-methylimidazole.
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- Molecular Physics, 2023, v. 121, n. 7/8, p. 1, doi. 10.1080/00268976.2022.2122614
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- Article
Metabotropic glutamate receptor blockade in nucleus accumbens shell shifts affective valence towards fear and disgust.
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- European Journal of Neuroscience, 2011, v. 33, n. 4, p. 736, doi. 10.1111/j.1460-9568.2010.07553.x
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- Publication type:
- Article
The Laplacian of the electronic density at the valence-shell charge concentration (VSCC): A comparative study of effective core potential and full-electron calculations in Mo compounds. II.
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- International Journal of Quantum Chemistry, 1996, v. 60, n. 5, p. 1015, doi. 10.1002/(SICI)1097-461X(1996)60:5<1015::AID-QUA8>3.0.CO;2-3
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- Article
The Laplacian of the electronic density at the valence-shell charge concentration (VSCC): A comparative study of effective core potential and full-electron calculations in Mo compounds. II.
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- International Journal of Quantum Chemistry, 1996, v. 60, n. 5, p. 1015, doi. 10.1002/(SICI)1097-461X(1996)60:5<1015::AID-QUA8>3.0.CO;2-3
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- Article
Spin-independent three-body effective valence-shell operators: Application to molecular oxygen.
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- International Journal of Quantum Chemistry, 1992, v. 44, n. 4, p. 643, doi. 10.1002/qua.560440418
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- Article
EOM/Propagator ionization potentials: Effect of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene.
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- International Journal of Quantum Chemistry, 1985, v. 27, n. 2, p. 145, doi. 10.1002/qua.560270205
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- Article
Generation of Highly Damaging H<sub>2</sub>O<sup>+</sup> Radicals by Inner Valence Shell Ionization of Water.
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- ChemPhysChem, 2010, v. 11, n. 5, p. 1006, doi. 10.1002/cphc.201000034
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- Article
The valence shell electronic states of trimethylene oxide studied by photoabsorption and ab initio multireference configuration interaction calculations.
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- Molecular Physics, 2009, v. 107, n. 14, p. 1473, doi. 10.1080/00268970902946368
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- Article
Selected valence electron split-shell MO calculations on Cu<sub>2</sub>, Ag<sub>2</sub>, and Au<sub>2</sub>.
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- International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1237, doi. 10.1002/qua.560170618
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- Article
Selected valence-electron split-shell MO calculations on ArF<sup>+</sup>, KrF<sup>+</sup>, and XeF<sup>+</sup>.
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- International Journal of Quantum Chemistry, 1978, v. 14, n. 3, p. 329, doi. 10.1002/qua.560140311
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- Article
On the applicability of the selected valence electron split-shell method to ionic molecules.
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- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. 715, doi. 10.1002/qua.560100413
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- Article
Effective valence-shell hamiltonians generated by canonical transformations.
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- International Journal of Quantum Chemistry, 1976, v. 10, p. 231, doi. 10.1002/qua.560100723
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- Article
On the applicability of the selected valence electron split-shell model to ionic molecules.
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- International Journal of Quantum Chemistry, 1976, v. 10, n. 1, p. 181, doi. 10.1002/qua.560100116
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- Article
Approximate valence-shell electron unrestricted Hartree-Fock calculations with orthogonalized atomic orbitals: Proton hyperfine splittings in benzyl and related radicals.
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- International Journal of Quantum Chemistry, 1974, v. 8, n. 3, p. 451, doi. 10.1002/qua.560080311
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- Article
Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1183, doi. 10.1002/qua.560070613
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- Article
Open-shell valence configuration-interaction studies of diatomic and polyatomic molecules.
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- International Journal of Quantum Chemistry, 1967, v. 1, n. 1, p. 329, doi. 10.1002/qua.560010639
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- Article
Site-selective photoemission from delocalized valence shells induced by molecular rotation.
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- Nature Communications, 2014, v. 5, n. 5, p. 3816, doi. 10.1038/ncomms4816
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- Article
A Computational Study on the Stability of Oxaphosphirane Rings towards Closed-Shell Valence Isomerization.
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- European Journal of Inorganic Chemistry, 2017, v. 2017, n. 20, p. 2707, doi. 10.1002/ejic.201700177
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- Article
Opening up the Valence Shell: A T‐Shaped Iron(I) Metalloradical and Its Potential for Atom Abstraction.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 24, p. 9448, doi. 10.1002/anie.202003118
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- Article
Valence-Shell Charge Concentrations and Electron Delocalization in Alkyllithium Complexes: Negative Hyperconjugation and Agostic Bonding.
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- Chemistry - A European Journal, 2002, v. 8, n. 10, p. 2324, doi. 10.1002/1521-3765(20020517)8:10<2324::AID-CHEM2324>3.0.CO;2-X
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- Article
Transition metal chemistry: The valence shell in d-block chemistry. By Malcolm Gerloch and Edwin C. Constable, VCH, Weinheim 1994, XI, 211 pp., softcover, DM 58.00, £23.50, $35.00, ISBN 3-527-29219-5.
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- Advanced Materials, 1996, v. 8, n. 3, p. 261, doi. 10.1002/adma.19960080321
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- Article
Shell-like structure of valence band orbitals of silicon nanocrystals in silica glass.
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- Physica Status Solidi (B), 2006, v. 243, n. 6, p. R47, doi. 10.1002/pssb.200642104
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- Article
The calculation of valence shell ionization potentials by the ΔSCF method.
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- Molecular Physics, 1975, v. 29, n. 3, p. 873, doi. 10.1080/00268977500100761
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- Article
Valence shell calculations on polyatomic molecules.
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- Molecular Physics, 1973, v. 26, n. 2, p. 397, doi. 10.1080/00268977300101751
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- Article
Valence shell calculations on polyatomic molecules.
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- Molecular Physics, 1972, v. 22, n. 2, p. 351, doi. 10.1080/00268977100102621
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- Article
Approximate self-consistent field molecular orbital calculations for valence shell electronic states.
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- Molecular Physics, 1967, v. 12, n. 1, p. 83, doi. 10.1080/00268976700100091
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- Publication type:
- Article
Symmetry Breaking in the Lowest-Lying Excited-State of CCl 4 : Valence Shell Spectroscopy in the 5.0–10.8 eV Photon Energy Range.
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- Molecules, 2024, v. 29, n. 23, p. 5619, doi. 10.3390/molecules29235619
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- Article
价层电子对互斥理论教学盲区与实践优化.
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- University Chemistry, 2023, v. 38, n. 11, p. 242, doi. 10.3866/PKU.DXHX202302039
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- Publication type:
- Article
Synthesis of Anionic Triple-Decker Complexes Having Closed 30e Valence Shells by Stacking of Sandwich Anions with Cr(CO)<sub>3</sub> Fragments.
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- Angewandte Chemie International Edition, 1986, v. 25, n. 2, p. 165, doi. 10.1002/anie.198601651
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- Article
Valence-Shell Autoionization of NO.
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- Physics Essays, 2000, v. 13, n. 2, p. 290, doi. 10.4006/1.3028822
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- Article
Multiple Sequential Ionization of Valence n = 4 Shell of Krypton by Intense Femtosecond XUV Pulses.
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- Atoms (2218-2004), 2020, v. 8, n. 4, p. 80, doi. 10.3390/atoms8040080
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- Article
On the accuracy of valence-shell computations for heavy and super-heavy elements.
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- European Physical Journal D (EPJ D), 2005, v. 33, n. 1, p. 15, doi. 10.1140/epjd/e2005-00013-1
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- Publication type:
- Article
Valence Shell Charge Concentrations at Pentacoordinate d0 Transition-Metal Centers: Non-VSEPR Structures of Me2NbCl3 and Me3NbCl2.
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- Chemistry - A European Journal, 2005, v. 11, n. 17, p. 4921, doi. 10.1002/chem.200400808
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- Article
On the relative importance of core and valence shell representations in the calculation of conformational energies using small Gaussian basis sets.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 134, doi. 10.1002/jcc.540010205
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- Article
Interrelation between secondary-electron emission and the parameters of the electronic structure of target atoms.
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- Journal of Surface Investigation: X-Ray, Synchrotron & Neutron Techniques, 2015, v. 9, n. 5, p. 948, doi. 10.1134/S1027451015050122
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- Article
σ-Hole Bonds and the VSEPR Model—From the Tetrahedral Structure to the Trigonal Bipyramid.
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- Sci, 2022, v. 4, n. 2, p. N.PAG, doi. 10.3390/sci4020017
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- Article
Classification of So-Called Non-Covalent Interactions Based on VSEPR Model.
- Published in:
- Molecules, 2021, v. 26, n. 16, p. 4939, doi. 10.3390/molecules26164939
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- Article
Bending the Curve: Molecular Manifestations of Electron Antisymmetry.
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- ChemistryOpen, 2021, v. 10, n. 12, p. 1197, doi. 10.1002/open.202100234
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- Article