Interaction energy
Studies of P2X4 receptor dynamics upon agonist activation by High Speed Atomic Force Microscopy and Molecular Dynamics simulations
... the interaction energy between the receptor subunits and each ATP was calculated ...The interaction energy that ATP makes with each subunit is of high importance since its value ...
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Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene
... replaces the core electrons by pseudopotentials and expands the electronic wavefunctions in a basis set of wavelets. The code includes only DFT-based methods. The calculations were done self-consistently with a ...
12
WATER AND ITS PROPERTIES: AN UNUSUAL MOLECULE
... kinetic energy of the molecules (increasing the temperature), the dipole-dipole interaction energy can be reached (Temp > 4 ºC) and then the cohesion energy among them decreases, the ...
41
Substituent Effects in Cation/pi Interactions Revisited: A General Approach from Intrinsic Properties of the Arenes
... noncovalent interaction (larger for the former than for the latter) between the aromatic system and the cation that covers the ring, just where the cation–p interaction is ...noncovalent interaction ...
5
Observability of an induced electric dipole moment of the neutron from nonlinear QED
... the interaction energy as long as the weak-field approximation remains ...the interaction energy due to QED vacuum effects stemming from the regions r < R and j r r n j < a, their ...
12
In silico-designed mutations increase variable new-antigen receptor single-domain antibodies for VEGF165 neutralization
... VEGF 165 is an angiogenic cytokine that also regulates vascular permeability and promotes migration of endothelial cells [13–15]. Angiogenesis is critical for the early development of cancer and for metastatic spread ...
14
Ab Initio Study of [n n]Paracyclophane (n = 2, 3) Complexes with Cations: Unprecedented Through Space Substituent Effects
... higher in the diamino-substituted [n.n]paracyclophanes 2 and 5. The ion-induced polarization term is very important in all cases, especially in the tetracyano-substituted [n.n]paracyclo- phanes 3 and 6 where the ...
5
Towards Modelling QFT in Real Metamaterials: Singular Potentials and Self-Adjoint Extensions
... vacuum energy for the quantum vacuum fluctuations that live between two plane parallel ...vacuum interaction energy between two parallel semitransparent Dirac δ-plates in terms of the scattering data ...
12
Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase
... electrostatic interaction energy term, from = 1 (full interaction) to = 0 (no electrostatic interaction), in steps ( of ...Waals energy interaction term, from = 1 (full ...
35
Modelling of sectoral energy demand through energy intensities in MEDEAS integrated assessment model
... final energy intensities has been developed. Hence, energy demands are by-default modelled applying the top-down approach although it also allows for specific sectors to be modelled ...final energy ...
22
Energy efficiency evaluation of zero energy houses
... houses energy efficiency were ...with energy consumption, a power meter needs to be installed in order to monitor independently the HVAC ...the energy consumption (total and in HVAC) in the ...
13
New Energy
... En la actualidad ante la falta de recursos del Sector Público, las grandes empresas han optado promover la inversión privada, apoyadas por asociaciones como la Asociación Nacional de Empresarios de Colombia (ANDI) y la ...
132
Ghost Dark Energy Model with Non linear Interaction
... In this work we studied a QCD ghost dark energy model taking into account a non-linear interaction between the dark energy and dark matter components (see equation (2.9)). Considering a FRW type flat ...
10
Torresol Energy
... Actualmente, existen muy diferentes tecnologías para el aprovechamiento de la energía solar como fuente primaria de energía. Entre estas tecnologías destacan la tecnología solar por concentración en fluidos térmicos, por ...
11
Energy, mobility and environmental sectors in Barcelona
... ITER (the meaning in Latin is ‘the way’) is an international collaboration project for developing nuclear fusion and its final objective is the building of a large experimental fusion reactor in the cen- tre of Cadarache ...
15
TRAINING OF EXPERTS FOR ENERGY RETROFIT AT THE FRAUNHOFER CENTRE FOR THE ENERGY SAVING RENOVATION OF OLD BUILDINGS AND THE PRESERVATION OF MONUMENTS AT BENEDIKTBEUERN
... for energy retrofit, because often measures for improving energy efficiency will change the appearance of the building and can have quite a severe impact on the historical building fabric, building surfaces ...
16
solucionarioestructuraatomica
... same energy level/second energy level/n = 2; large increase between 9 th and 10 th IE as electron now removed from n = 1 / 2 electrons very hard/most difficult to remove / innermost/lowest/closest to the ...
5
Integral energy behaviour of photovoltaic semi-transparent glazing elements for building integration
... the energy consumption of office buildings in terms of heating and cooling loads, daylighting, and electricity ...cooling energy as the result of applying a PV cladding system in a commercial building in ...
224
Embodied energy in agricultural inputs Incorporating a historical perspective
... the energy efficiency of the production of each type of pesticide, especially for new pesticides which production methods are protected by patent rights and that have been subject to little or no academic ...
123
E LECTRONS, ANDA TOMS
... (e) E VALUATE : A photon with frequency f = 100 MHz has too little energy, by a large factor, to dissociate a AgBr molecule. The photons in the visible light from a firefly do individually have enough ...
19