Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Interaction, energy

The interaction energy, AIT, is the contribution (positive or negative) to AE, due to the (indirect) interaction between the two adatoms. In other words, AIT is the difference between the chemisorption energy AE for the doubleadsorption system and the sum of the chemisorption energies A (A = a or b) for the two individual single-adsorption systems, i.e., [Pg.153]

We now look at some results, calculated via the above theory, for a pair of H atoms chemisorbed on several d-band metals (Ti, Cr, Ni, Cu). Corresponding results for III-V and sp-hybrid semiconductor substrates have been given by Schranz and Davison (1998, 2000). [Pg.155]

we describe the various system parameters, primarily adapted from Newns (1969). From the energy dispersion relation (2.32), the bulk states are distributed through a band, centered at a, and with width Wb = 4 / . The Fermi level Ef is taken to be at the center of this band, and is chosen to be the energy zero (so that Ef = a = 0, for all systems). The position of /, relative to the vacuum level, is given by the work function (j , whence the isolated H adatom level, relative to Ef is [Pg.155]

The numerical solution of the self-consistency equation (8.35) is rather difficult, so we refer readers to Schranz and Davison (1998) for a few details. However, for illustrative purposes, we present, in Fig. 8.5, a typical graph- [Pg.156]

To understand the oscillatory dependence of AE on d, it is necessary to look more closely at the interaction energy AW because, as (8.66) shows, AE is the sum of the two single-atom chemisorption energies (which are independent of d) plus AW. Hence, any effect of d on AE must arise due to AW. Alternatively, one may consider the situation in terms of the adatom wave-functions, which, as they spread out from each adatom, interfere in either a constructive or destructive fashion, thus creating oscillations in the electron density that are mirrored in the interaction. Since the wavefunctions are in or out of phase, depending on d, AE itself becomes a function of d. As d increases, the overlap of the wavefunctions decreases, and AE tends towards A eP. [Pg.157]

By its nature, the supermolecule approach requires that a calculation be performed on the entire complex, not just on the individual subunits as in the case of perturbation theory. Since the computational requirements scale roughly as the fourth or fifth power of the number of basis functions, one is obviously more limited in terms of systems that can be considered and/or basis sets that can be applied. [Pg.169]

Whether or not perturbation theory is actually employed in the calculations, it still furnishes a particularly instructive means of understanding the nature of the interaction. We begin with two isolated molecules, AH and B, with electronic structures specified by their undisturbed SCF wavefunctions Pah ancl As they approach one another, they are initially not allowed to disturb one another, and the electrons are held frozen in their isolated molecule situations. That is, the zeroth-order wavefunction of the AH B complex is a product of the isolated-molecule wavefunctions. [Pg.169]

The zeroth-order wavefunction yields the first-order perturbation to the energy when combined with the operator V, which describes the interactions between electrons and nuclei on the two different molecules. This first-order correction, known as the Heitler-London interaction energy,may be thought of as consisting of two terms. The first is the classical Coulombic interaction between the charge clouds of the (undistorted) subunits, commonly known as the electrostatic energy, and computed as [Pg.169]

The above phenomena presuppose a zeroth-order wavefunction in which the electronic structures of the AH and B molecules are unaffected by the interaction. Of course, the orbitals of each subunit do respond to the presence of its partner. Since the resulting contribution to the SCF interaction energy is associated with unfreezing or deformation of each subunit s wavefunction, this term can be designated as [Pg.170]

Surpassing the Hartree-Fock level by including electron correlation produces a number of modifications to the wavefunction of the complex. The correlated wavefunction of each monomer, and consequently its electronic properties, is perturbed relative to the SCF values. Hence, correlation introduces an addition or correction to each SCF term above. For example, since correlated dipole moments tend to be smaller than SCF values, an attractive dipole-dipole interaction would become less so at the correlated level, i.e., the correlation correction to ES is repulsive. [Pg.170]


The idea that unsymmetrical molecules will orient at an interface is now so well accepted that it hardly needs to be argued, but it is of interest to outline some of the history of the concept. Hardy [74] and Harkins [75] devoted a good deal of attention to the idea of force fields around molecules, more or less intense depending on the polarity and specific details of the structure. Orientation was treated in terms of a principle of least abrupt change in force fields, that is, that molecules should be oriented at an interface so as to provide the most gradual transition from one phase to the other. If we read interaction energy instead of force field, the principle could be reworded on the very reasonable basis that molecules will be oriented so that their mutual interaction energy will be a maximum. [Pg.64]

Just as with interaction energies, II can be regarded as the sum of several components. These include Ilm due to dispersion interaction, Ilf due to electrostatic interactions between charged surfaces, 11 due to overlapping adsorbed layers of neutral... [Pg.247]

Fig. XrV-6. (a) The total interaction energy determined from DLVO theory for n-hexadecane drops for a constant ionic strength - 5.0 nm) at various emulsion pH (b) enlargement of the secondary minimum region of (a). (From Ref. 39.)... Fig. XrV-6. (a) The total interaction energy determined from DLVO theory for n-hexadecane drops for a constant ionic strength - 5.0 nm) at various emulsion pH (b) enlargement of the secondary minimum region of (a). (From Ref. 39.)...
Fig. XVII-25. Interaction energy distributions for N2 on BN (a) Langmuir b) Langmuir plus lateral interaction (c) van der Waals. (From Ref. 162.)... Fig. XVII-25. Interaction energy distributions for N2 on BN (a) Langmuir b) Langmuir plus lateral interaction (c) van der Waals. (From Ref. 162.)...
For the interaction between a nonlinear molecule and an atom, one can place the coordinate system at the centre of mass of the molecule so that the PES is a fiinction of tlie three spherical polar coordinates needed to specify the location of the atom. If the molecule is linear, V does not depend on <() and the PES is a fiinction of only two variables. In the general case of two nonlinear molecules, the interaction energy depends on the distance between the centres of mass, and five of the six Euler angles needed to specify the relative orientation of the molecular axes with respect to the global or space-fixed coordinate axes. [Pg.186]

Long-range forces are most conveniently expressed as a power series in Mr, the reciprocal of the intemiolecular distance. This series is called the multipole expansion. It is so connnon to use the multipole expansion that the electrostatic, mduction and dispersion energies are referred to as non-expanded if the expansion is not used. In early work it was noted that the multipole expansion did not converge in a conventional way and doubt was cast upon its use in the description of long-range electrostatic, induction and dispersion interactions. However, it is now established [8, 9, 10, H, 12 and 13] that the series is asymptotic in Poincare s sense. The interaction energy can be written as... [Pg.187]

The average cloud is spherically synnnetric with respect to the nucleus, but at any instant of time there may be a polarization of charge givmg rise to an instantaneous dipole moment. This instantaneous dipole induces a corresponding instantaneous dipole in the other atom and there is an interaction between the instantaneous dipoles. The dipole of either atom averages to zero over time, but the interaction energy does not because the instantaneous and induced dipoles are correlated and... [Pg.192]

Figure Al.5.3 First-order interaction energy for He-He. Based on data from Komasa and Thakkar [70],... Figure Al.5.3 First-order interaction energy for He-He. Based on data from Komasa and Thakkar [70],...
Unfortunately, the supennolecule approach [81, 82] is full of teclmical diflSculties, which stem chiefly from the very small magnitude of the interaction energy relative to the energy of the supennolecule. Even today, a novice would be ill-advised to attempt such a computation using one of the black-box computer programs available for perfonning ab initio calculations. [Pg.199]

The third virial coefficient C(7) depends upon tliree-body interactions, both additive and non-additive. The relationship is well understood [106. 107. 111]. If the pair potential is known precisely, then C(7) ought to serve as a good probe of the non-additive, tliree-body interaction energy. The importance of the non-additive contribution has been confimied by C(7) measurements. Unfortunately, large experimental uncertainties in C (7) have precluded unequivocal tests of details of the non-additive, tliree-body interaction. [Pg.202]

The interaction energy can be written as an expansion employing Wigner rotation matrices and spherical hamionics of the angles [28, 130], As a simple example, the interaction between an atom and a diatomic molecule can be expanded hr Legendre polynomials as... [Pg.208]

Bell R J 1970 Multipolar expansion for the non-additive third-order interaction energy of three atoms J. [Pg.212]

Komasa J and Thakkar A J 1995 Accurate Heitler-London interaction energy for He2 J. Mol. Struct. (Theochem) 343 43... [Pg.213]

Mirsky K 1978 The determination of the intermolecular interaction energy by empirical methods Computing in Crystaiiography ed R Schenk ef a/(Delft, The Netherlands Delft University) p 169... [Pg.217]

The McMillan-Mayer theory offers the most usefiil starting point for an elementary theory of ionic interactions, since at high dilution we can incorporate all ion-solvent interactions into a limitmg chemical potential, and deviations from solution ideality can then be explicitly coimected with ion-ion interactions only. Furthemiore, we may assume that, at high dilution, the interaction energy between two ions (assuming only two are present in the solution) will be of the fomi... [Pg.575]

Aguilar M A and Olivares del Valle F J 1989 A computation procedure for the dispersion component of the interaction energy in continuum solute solvent models Ohem. Rhys. 138 327-36... [Pg.864]

The total interaction energy of the nucleus may be expressed as a sum of the individual Hamiltonians given in equation B1.12.1, (listed in table B1.12.1) and are discussed in detail in several excellent books [1, 2, 3 and 4]. [Pg.1466]

Classically, the interaction energy of a magnetic moment pg in an applied magnetic field B is... [Pg.1549]

These two expressions differ in a very important way the sum of occupied orbital energies double counts the Coulomb minus exchange interaction energies. Thus, within the FIE approximation, the sum of the occupied orbital energies is not equal to the total energy. [Pg.2174]

The idea may be illustrated by considering first a method for increasing the acceptance rate of moves (but at the expense of trying, and discarding, several other possible moves). Having picked an atom to move, calculate the new trial interaction energy for a range of trial positions t = 1.. . k. Pick the actual attempted move from this set, with a probability proportional to the Boltzmann factor. This biases the move selection. [Pg.2265]

Not aii moiecuies are suited for estabiishing SAMs. The majority of cases studied have invoived assembiy of aikyi-chain-based entities. The moiecuies of seif-organizing chemicai compounds aii have a simiiar stmcture. The spontaneous nature of fiim fonnation is due to the interaction energies of the monoiayers. These can be considered in tenns of tiiree main components (figure C2.4.i0) [121], which cooperativeiy estabiish stabiiity, order and orientation in the monoiayer. [Pg.2621]

Figure C2.6.9. Phase diagram of charged colloidal particles. The solid lines are predictions by Robbins et al [85]. Fluid phase (open circles), fee crystal (solid circles) and bee crystal (triangles). is tire interaction energy at tire... Figure C2.6.9. Phase diagram of charged colloidal particles. The solid lines are predictions by Robbins et al [85]. Fluid phase (open circles), fee crystal (solid circles) and bee crystal (triangles). is tire interaction energy at tire...

See other pages where Interaction, energy is mentioned: [Pg.53]    [Pg.69]    [Pg.226]    [Pg.248]    [Pg.249]    [Pg.602]    [Pg.613]    [Pg.658]    [Pg.701]    [Pg.702]    [Pg.184]    [Pg.185]    [Pg.185]    [Pg.186]    [Pg.186]    [Pg.189]    [Pg.192]    [Pg.202]    [Pg.213]    [Pg.594]    [Pg.595]    [Pg.835]    [Pg.838]    [Pg.926]    [Pg.1151]    [Pg.1156]    [Pg.1466]    [Pg.2458]    [Pg.2583]   
See also in sourсe #XX -- [ Pg.340 ]

See also in sourсe #XX -- [ Pg.122 ]

See also in sourсe #XX -- [ Pg.49 , Pg.52 , Pg.87 , Pg.163 ]

See also in sourсe #XX -- [ Pg.47 ]

See also in sourсe #XX -- [ Pg.446 ]

See also in sourсe #XX -- [ Pg.68 , Pg.69 , Pg.70 , Pg.71 ]

See also in sourсe #XX -- [ Pg.169 ]

See also in sourсe #XX -- [ Pg.66 ]

See also in sourсe #XX -- [ Pg.3 ]

See also in sourсe #XX -- [ Pg.147 , Pg.192 ]

See also in sourсe #XX -- [ Pg.176 , Pg.177 , Pg.183 , Pg.236 , Pg.244 , Pg.245 , Pg.246 , Pg.247 , Pg.250 , Pg.251 , Pg.252 , Pg.253 , Pg.254 , Pg.255 , Pg.259 , Pg.260 , Pg.261 , Pg.274 , Pg.275 , Pg.340 ]

See also in sourсe #XX -- [ Pg.3 ]

See also in sourсe #XX -- [ Pg.136 , Pg.270 ]

See also in sourсe #XX -- [ Pg.34 ]

See also in sourсe #XX -- [ Pg.7 ]

See also in sourсe #XX -- [ Pg.204 ]

See also in sourсe #XX -- [ Pg.122 ]

See also in sourсe #XX -- [ Pg.155 ]

See also in sourсe #XX -- [ Pg.24 ]

See also in sourсe #XX -- [ Pg.234 ]

See also in sourсe #XX -- [ Pg.169 ]

See also in sourсe #XX -- [ Pg.34 ]

See also in sourсe #XX -- [ Pg.222 ]

See also in sourсe #XX -- [ Pg.13 , Pg.15 , Pg.16 , Pg.322 ]

See also in sourсe #XX -- [ Pg.47 , Pg.123 ]

See also in sourсe #XX -- [ Pg.617 ]

See also in sourсe #XX -- [ Pg.831 ]

See also in sourсe #XX -- [ Pg.505 ]

See also in sourсe #XX -- [ Pg.290 , Pg.291 , Pg.295 , Pg.296 , Pg.297 , Pg.298 ]

See also in sourсe #XX -- [ Pg.148 , Pg.185 ]

See also in sourсe #XX -- [ Pg.8 , Pg.262 ]

See also in sourсe #XX -- [ Pg.94 , Pg.734 , Pg.738 ]

See also in sourсe #XX -- [ Pg.345 ]

See also in sourсe #XX -- [ Pg.121 ]

See also in sourсe #XX -- [ Pg.58 , Pg.291 , Pg.367 , Pg.766 , Pg.919 ]

See also in sourсe #XX -- [ Pg.116 ]

See also in sourсe #XX -- [ Pg.196 ]

See also in sourсe #XX -- [ Pg.168 , Pg.169 ]

See also in sourсe #XX -- [ Pg.142 ]

See also in sourсe #XX -- [ Pg.37 ]

See also in sourсe #XX -- [ Pg.163 ]

See also in sourсe #XX -- [ Pg.43 , Pg.44 ]

See also in sourсe #XX -- [ Pg.235 , Pg.239 , Pg.242 ]

See also in sourсe #XX -- [ Pg.55 ]

See also in sourсe #XX -- [ Pg.49 ]

See also in sourсe #XX -- [ Pg.44 ]

See also in sourсe #XX -- [ Pg.130 ]

See also in sourсe #XX -- [ Pg.20 ]

See also in sourсe #XX -- [ Pg.121 , Pg.124 ]

See also in sourсe #XX -- [ Pg.47 , Pg.48 ]

See also in sourсe #XX -- [ Pg.282 ]

See also in sourсe #XX -- [ Pg.43 ]

See also in sourсe #XX -- [ Pg.684 ]

See also in sourсe #XX -- [ Pg.122 , Pg.124 , Pg.127 , Pg.128 , Pg.192 ]

See also in sourсe #XX -- [ Pg.103 ]

See also in sourсe #XX -- [ Pg.83 , Pg.84 ]

See also in sourсe #XX -- [ Pg.26 ]

See also in sourсe #XX -- [ Pg.97 ]

See also in sourсe #XX -- [ Pg.46 ]

See also in sourсe #XX -- [ Pg.62 , Pg.332 , Pg.333 ]

See also in sourсe #XX -- [ Pg.121 ]

See also in sourсe #XX -- [ Pg.71 , Pg.88 , Pg.223 , Pg.243 ]

See also in sourсe #XX -- [ Pg.92 ]

See also in sourсe #XX -- [ Pg.9 , Pg.10 , Pg.11 ]

See also in sourсe #XX -- [ Pg.228 ]

See also in sourсe #XX -- [ Pg.11 , Pg.12 , Pg.23 ]

See also in sourсe #XX -- [ Pg.109 , Pg.113 , Pg.119 , Pg.120 , Pg.121 ]

See also in sourсe #XX -- [ Pg.55 , Pg.181 , Pg.187 , Pg.195 , Pg.281 ]

See also in sourсe #XX -- [ Pg.47 ]

See also in sourсe #XX -- [ Pg.212 ]

See also in sourсe #XX -- [ Pg.107 , Pg.109 ]

See also in sourсe #XX -- [ Pg.5 , Pg.777 , Pg.3209 ]

See also in sourсe #XX -- [ Pg.2 ]

See also in sourсe #XX -- [ Pg.513 ]

See also in sourсe #XX -- [ Pg.190 , Pg.191 ]

See also in sourсe #XX -- [ Pg.789 ]

See also in sourсe #XX -- [ Pg.15 , Pg.141 ]

See also in sourсe #XX -- [ Pg.27 ]

See also in sourсe #XX -- [ Pg.280 , Pg.295 ]

See also in sourсe #XX -- [ Pg.281 , Pg.295 ]




SEARCH



Acid-base interactions free energy

Acidic drugs interaction energy values

Activation energy myosin-actin interaction

Adsorption interaction energies

Analyte interaction energies, evaluation

Angular overlap method interaction energy

Apparent interaction energy

Atomic interaction energies

Attractive interaction energy

Attractive interaction energy Hamaker constant

Attractive interaction energy polymer-coated particles

Average energy of interaction between

Aziridines interaction energy

BSSE Corrected Interaction Energies

Bare interaction energy, renormalization

Basic Concepts of Molecular Interaction Energy Values

Benzene interaction energy, BSSE

Binding free energy protein-ligand interactions

Bistable energy transmission through the interface with Fermi resonance interaction

Breit interaction / operator negative-energy

Calculated Interaction Energies

Calculated using coupled-cluster interaction energies

Catalytic decomposition interaction energies

Ceramic suspensions interaction energy

Characteristic energy, neutron interaction

Charge-transfer interaction energies

Clusters interaction energy

Clusters, intermolecular interaction energy

Colloid stability interaction energy

Colloidal dispersions interaction energies

Colloidal interactions interaction energy

Colloidal system interaction energy curve

Components of the Interaction Energy

Configuration interaction electronic transition energies

Configuration interaction energy values

Configuration interaction method, energy

Configuration interaction method, energy water

Configuration interaction potential energy curves

Contact interactions free energy isotherms

Contact interactions interfacial energy

Contributions to the interaction energy

Coplanar dipoles, interaction energy

Correlation energy configuration interaction

Coulombic interaction energy

Coulombic interactions energy components

Coulombic interactions energy models

Coulombic interactions potential energy surfaces

Coulombs interaction energy

Crystal vacancies interaction energy

Decomposition of interaction energy

Deformation energy nonbonded interactions

Delocalization interactions stabilization energy

Depletion interaction energy

Derjaguin—Landau—Verwey—Overbeek interaction energy

Dielectric interaction energy

Dihydrogen bonds interaction energies

Dimensionless interaction energy

Dipolar interaction energy

Dipolar interaction energy differ

Dirac electromagnetic interaction energy

Dispersion interaction energy

Drug-receptor interactions free energy

Effect of the Breit Interaction on Energies and Spinors

Electromagnetic Interaction Energy Operator

Electromagnetic radiation high energy electron interaction

Electron interaction energy

Electron interaction energy in isospin basis

Electron nuclear spin interaction energy

Electronic Zeeman interaction energy matrices

Electronic energy multireference configuration interaction

Electrostatic energy interaction calculation

Electrostatic energy of interaction

Electrostatic interaction energy

Electrostatic interaction energy, SCRF calculations

Electrostatic interactions energy decomposition

Electrostatic interactions free energy

Electrostatic interactions free energy calculations

Electrostatic interactions solute-solvent energy

Electrostatic interactions solvation free energy calculations

Electrostatic potential, molecular interactive interaction energy

Energies affecting orbital interactions

Energies and Forces of Interaction

Energy Loss in the Interaction of Atomic Particles with Solid Surfaces

Energy Molar interaction

Energy Relations for Functional Groups and Their Interactions

Energy Transfer via Exchange Interaction

Energy and Charge Distribution Changes from Orbital Interaction

Energy deposition interactions, relative

Energy deposition interactions, relative distance

Energy derivatives interaction wave functions

Energy donor-acceptor interaction parameter

Energy electronic interaction

Energy filler-polymer interaction

Energy interaction, closed-subshell atoms

Energy interaction, contributions

Energy intramolecular interaction

Energy ligand-receptor interaction

Energy long-range interaction

Energy mixed-pair interaction

Energy nonbonded interaction

Energy of hydrophobic interaction

Energy of interaction

Energy of interaction between particles

Energy of interaction between the

Energy of interactions between

Energy of intermolecular interactions

Energy repulsive interaction

Energy short-range interaction

Energy three-body interactions

Energy transducing processes, interaction between

Energy transfer Exchange interaction

Energy transfer Multipolar interaction

Energy transfer long range interactions

Energy transfer processes, donor-acceptor interaction

Energy transfer, plasma-surface interactions

Energy weakly interacting systems

Energy, Dipole Interaction

Estimating the Energies of Interactions

Evaluation interaction with potential energy forms

Evaluation of interaction energies

Exact Retarded Electromagnetic Interaction Energy

Excess free energy interaction parameter

Exchange interaction energy

Frank energy, field interactions

Free energy distribution between interaction

Free energy interaction

Free energy interaction matrix

Free energy intramolecular interaction

Free energy of double layer interaction

Free energy of interaction

Free energy of interaction with

Free energy total-interaction, electrostatic

Full configuration interaction dissociation energy

Full configuration interaction energy

Full configuration interaction potential energy curves

Fundamental Interaction Energy Components

General Darwin Interaction Energy

General Expression for the Interaction Energy

Gibbs energy in hydrophobic interactions

Gibbs energy interaction

Gibbs energy of interaction

Gibbs free energy of interaction

Gibbs free energy, interactions

Hamiltonian interaction energy

Hard spheres interaction energy

Hartree Fock interaction energy

Hartree-Fock theory interaction energy

Heitler-London interaction energy

Host-guest interaction energy

Hybrid variation-perturbation decomposition of SCF interaction energy

Hydrogen molecule interaction energies

Hydrophobic interaction, free energy

Indirect adatom interactions interaction energy

Induction/dispersion interactions energy

Instantaneous interaction energy

Interaction Energies (Forces) Between Emulsion Droplets and their Combinations

Interaction Energies and Forces

Interaction Energy Between Two Molecules

Interaction Energy and Colloid Stability

Interaction Energy and Its Partitioning

Interaction Forces (Energies) Between Particles or Droplets Containing Adsorbed Non-ionic Surfactants and Polymers

Interaction correlation energy

Interaction energies in lattice-gas models

Interaction energies, requirement for

Interaction energy achieving

Interaction energy and the van der Waals

Interaction energy between an adsorbate

Interaction energy between flat surfaces

Interaction energy between methane

Interaction energy between spheres

Interaction energy between spherical colloids

Interaction energy between states

Interaction energy calculation

Interaction energy component

Interaction energy concept

Interaction energy decomposition

Interaction energy definition

Interaction energy density

Interaction energy density, polymer blends

Interaction energy electrostatic component

Interaction energy electrostatic repulsion

Interaction energy emulsions

Interaction energy exchange repulsion

Interaction energy functions, poly

Interaction energy functions, poly(vinyl

Interaction energy general asymptotic form

Interaction energy nonadsorbing polymer

Interaction energy nonspecific

Interaction energy of molecules

Interaction energy of two shells in LS coupling

Interaction energy parameter

Interaction energy primary maximum

Interaction energy reversible flocculation

Interaction energy sample problem

Interaction energy secondary minimum

Interaction energy stability

Interaction energy steric repulsion

Interaction energy sterically stabilized particles

Interaction energy theoretical calculations

Interaction energy water molecule

Interaction energy!ies)

Interaction energy, determining

Interaction energy, fractional change

Interaction energy, geometrical

Interaction energy, hydrogen adsorption

Interaction energy, hydrogen bonds

Interaction energy, many-body expansion

Interaction energy, negative, favorable

Interaction energy, single water molecules

Interaction energy, terminal residue

Interaction energy, van der Waals

Interaction energy-separation curve

Interaction free energy between two

Interaction of high-energy radiation with matter

Interaction potential energy

Interaction potential energy, hydrogen

Interaction potential energy, hydrogen molecule

Interaction potentials free energy

Interaction stabilization energies

Interaction stabilization energies representation

Interactions electronics electrostatic energy enthalpy

Interactions potential energy, determination

Intermolecular interaction energies aromatic molecules

Intermolecular interaction energy

Intermolecular interaction energy perturbation-theory approach

Intermolecular interaction energy stabilizing components

Intermolecular interaction energy supermolecular approach

Intermolecular interactions Coulombic potential energy

Intermolecular interactions electrostatic interaction energy

Interparticle interaction energy

Ion-molecule interaction energies

Keesom-type interaction energy

Kinetic energy interacting

Lennard-Jones interaction energy

Lennard-Jones pair interaction energy

Ligand binding interaction energies

Ligand interaction energies

Ligand surface interaction energy

Ligands and Quantitate Interaction Energy

Linear Interaction Energy Approaches

Linear Interaction Energy Monte Carlo simulations

Linear Interaction Energy accessible surface area

Linear Interaction Energy scoring

Linear Interaction Energy terms Links

Linear Interaction Energy theory

Linear Interaction Energy thrombin

Linear interaction energy

Linear interaction energy calculations

Linear interaction energy method

Linear interaction energy with continuum

Local interaction energy minimum

London electrostatic interaction energy

Magnetic interaction energy

Many-body expansion of interaction energy

Many-body interaction energy

Many-body interaction energy formalism

Maximum interaction energy

Metal-ceramic interface interactions wetting and interfacial energies

Methanol pair interaction energies

Minimum energy coordinates electronic-nuclear interaction

Minimum energy coordinates interaction constants

Model interaction energy

Molecular descriptor total interaction energy

Molecular dipole moments, interaction energies

Molecular interaction energies

Molecular interactions dispersion energies

Molecular interactions electrostatic energies

Molecular interactions, energy frequencies

Molecule-solid interaction energy

Multireference configuration interaction energy derivatives

N energy of interactions in H-bonds

Non-interacting kinetic energy

Nonbonded interactions potential energy

Noncovalent interactions, potential energy

Nonpolar interaction energy

Normalized total interaction energy

Optical centers, interaction with energy transfer

Orbital Energies and Interaction Matrix Elements

Orbital interaction energy

Orbital interaction energy decomposition

Orbital interaction kinetic energy density

Orbital interactions energy separation

Orbital interactions metal, energies

Orbitals interaction energy

Pair interaction energy

Particle energy, interaction probability

Perturbative Configuration Interaction potential energy calculations

Planar double layers, interaction free energy

Polarization corrections to the interaction energy

Polarization interaction energy term

Poly interaction energy density of miscible blends

Potential Energy of Interaction Between Particles and Surfaces

Potential Energy of Molecular Interactions

Potential energy attraction-interaction-repulsion

Potential energy charge-dipole interactions

Potential energy diagram hydrogen molecule interacting with

Potential energy factor, model interactions

Potential energy functions interactions)

Potential energy of electrostatic interaction

Potential energy of interactions

Potential energy surfaces, calculation configuration interaction

Potential energy, anharmonic terms interaction constants

Potential energy, distortion from vibronic interaction

Protein fragments interaction energy

Quadrupolar interaction nuclear spin energy levels

Quadrupole interaction energy

Quadrupole interaction energy tensor

Quadrupole splitting interaction energy level

Quantitative structure-property total interaction energy

Quantum mechanics interaction energy

Regular interaction energy

Resonance energy transfer Coulomb interaction

Resonance energy transfer exchange interaction

Resonance interaction energy

Rotational energy levels with nuclear spin/rotation interaction

Self-interaction effects, Coulomb energy

Self-interaction energy

Silica gels interaction energy

Single wall carbon nanotubes interaction energies

Site interaction energy

Skill 11.5 Apply kinetic theory to explain interactions of energy with matter, including conceptual questions on changes in state

Soft sphere interaction energy

Solute-solvent interaction energy

Solution, affinity interaction energy

Solvation electrostatic interaction energy

Spatial-Energy Interactions of Free Radicals

Specific interaction energy

Spin orbit interaction energy

Spin-orbit interaction energy parameters

Stabilizing interaction energy

Steric interaction energy

Subject interaction energy

Substituent interaction energies

Supermolecular Dissociation and Interaction Energies

Supermolecular interaction energies

Supermolecule method, interaction energy

Supramolecular structures interaction energy

Surface interaction energy hyper

Symmetrized Darwin Interaction Energy

Temperature crystal vacancies, interaction energy

The Coulomb interaction energy of two polarized ions at distance

The Linear Interaction Energy (LIE) Method

The Potential Energy of Interaction Between Particles

The Supramolecular Approach and Total Interaction Energies

The energy of interaction

Total energy of interaction

Total interaction energy

Total potential energy of interaction,

Two-body interaction energies

Two-body interaction energy the dimer

Units interaction energy

Vacancies interaction energy

Vacuum energy photon interaction

Vibrational energy relaxation nonlinear interaction models

Waals Attractive Interaction Energy

Waals Interaction Energy

Water charge-transfer interaction energies

Water peptide interaction energy

Watson-Crick Base Pair Interaction energy

Weak interactions expectation energy

Weighted Probe Interaction Energy Method

Work done and potential energy of electrostatic interactions

Zeeman interaction energy

Zeeman interaction energy matrices

Zeolites interaction energies between molecules

Zero-point energy vibrational configuration interaction

© 2024 chempedia.info