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Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 03/2011, Volume 1, Issue 2, pp. 153 - 163
The electrostatic potential V(r) that is created by a system of nuclei and electrons is formulated directly from Coulomb's law and is a physical observable,... 
NUCLEOPHILES | MOLECULAR-SURFACES | SIGMA-HOLE | COVALENT RADII | PREFERENCES | MATHEMATICAL & COMPUTATIONAL BIOLOGY | LOCAL IONIZATION ENERGIES | ATOMIC CHARGE-DENSITY | BOND | ELECTROPHILES | CHEMISTRY, MULTIDISCIPLINARY | INTERMOLECULAR INTERACTIONS | Nuclei (nuclear physics) | Interactions | Molecular structure | Electrostatic properties | Nuclei
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 03/2017, Volume 56, Issue 6, pp. 3644 - 3656
Two β-diketone mononuclear Dy­(III) compounds, formulated as Dy­(BTFA)3(H2O)2 (1) and Dy­(BTFA)3(bpy) (2) (BTFA = 3-benzoyl-1,1,1-trifluoroacetone, bpy =... 
SPIN-LATTICE-RELAXATION | EXCITED-STATE | BEHAVIOR | LANTHANIDE COMPLEXES | COORDINATION GEOMETRY | DY-III COMPLEXES | ION MAGNETS | EXCHANGE INTERACTION | LIGAND | ANISOTROPY | CHEMISTRY, INORGANIC & NUCLEAR | Molecular dynamics | Usage | Research | Electrostatics
Journal Article
Journal of Power Sources, ISSN 0378-7753, 01/2015, Volume 273, pp. 460 - 464
Journal Article
IEEE Transactions on Dielectrics and Electrical Insulation, ISSN 1070-9878, 12/2015, Volume 22, Issue 6, pp. 3163 - 3169
Journal Article
Nature Communications, ISSN 2041-1723, 2015, Volume 6, Issue 1, p. 6697
Many diverse studies have shown that a mechanical displacement of the axonal membrane accompanies the electrical pulse defining the action potential (AP). We... 
HEAT-PRODUCTION | ELECTRICAL RESPONSES | FIBERS | STIMULATION | SQUID GIANT-AXONS | MULTIDISCIPLINARY SCIENCES | LIPID-MEMBRANES | GARFISH OLFACTORY NERVE | THERMAL-CHANGES | IMPULSE | CAPACITANCE | Depolarization | Potential energy | Surface waves | Wave propagation | Traveling waves | Cytoskeleton | Action potential | Elastic properties | Kinetic energy | Electrostatic properties | Waves | Displacement
Journal Article
1978, Probability and mathematical statistics., ISBN 9780125618502, xii, 236
Book
Journal of Computational Chemistry, ISSN 0192-8651, 06/2018, Volume 39, Issue 15, pp. 881 - 888
The influence of mono‐ and multiple substituent effect on the reduction potential (E0) of 1,3,6‐triphenyl fulvenes is investigated using B3LYP‐SMD/6‐311+G(d,p)... 
fulvene | molecular electrostatic potential | density functional methods | reduction potential | REDOX POTENTIALS | FULVALENES | AB-INITIO | COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY | STATE AROMATICITY | PI INTERACTIONS | TRANSITION-METAL | COORDINATION POLYMERS | ELECTRONIC-STRUCTURE | HAMMETT EQUATION | Density functionals | Analysis
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 4/2008, Volume 105, Issue 17, pp. 6290 - 6295
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 11/2007, Volume 3, Issue 6, pp. 1890 - 1900
An electronic structure-based polarization method, called the X-POL potential, has been described for the purpose of constructing an empirical force field for... 
QUANTUM-CHEMISTRY | WAVE-FUNCTIONS | ATOMIC CHARGES | HYBRID QUANTUM | MOLECULAR-DYNAMICS SIMULATIONS | DENSITY-FUNCTIONAL THEORY | ORBITAL GHO METHOD | ELECTROSTATIC POTENTIALS | CHEMISTRY, MULTIDISCIPLINARY | SOLVATED MOLECULES | AQUEOUS-SOLUTION
Journal Article
Chemical Engineering Journal, ISSN 1385-8947, 01/2016, Volume 283, pp. 445 - 452
In the present study, the potential of synthesized hydroxyapatite microfibrillated cellulose (CHA/MFC) composite to remove chromium (VI) from aqueous solutions... 
Water treatment | Nanocellulose | Cr(VI) removal | Adsorption | Isotherms | Calcium hydroxyapatite (CHA) | CD(II) | CU(II) | NI(II) | ENGINEERING, CHEMICAL | HEXAVALENT CHROMIUM ADSORPTION | WASTE | ENGINEERING, ENVIRONMENTAL | ACTIVATED CARBON | EQUILIBRIUM | SURFACE | QUATERNARY AMMONIUM GROUPS | NANOCOMPOSITE | Cellulose | Chromium | Precipitation (Meteorology)
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 11/2014, Volume 111, Issue 44, pp. 15635 - 15640
Journal Article