Results 211 to 220 of about 36,235,438 (278)

Fluorine–Fluorine Interactions: NMR and AIM Analysis

Structural Chemistry, 2004
The structure of a number of compounds that show experimental F⋅⋅⋅sF coupling constants across the space has been studied using HF-DFT methods (B3LYP) and Atoms in Molecules (AIM) methodologies. For all the cases with strong coupling constants a bond critical point and the corresponding bond path between the fluorine atoms involved has been found in ...
Ibon Alkorta, José Elguero
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DFT studies and AIM analysis of AlN-polycycles

Russian Journal of Physical Chemistry A, 2012
The structure and properties of AlN-polycycles were studied by DFT (density functional theory) method. The results of calculations were obtained at B3LYP/6-311G(d, p) level on model species. Topological parameters such as electron density, its Laplacian, kinetic electron energy density, potential electron energy density, and total electron energy ...
Hoda Pasdar, Reza Ghiasi, Shahram Ajoudani   +2 more
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Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate

Polycyclic aromatic compounds (Print), 2022
The spectroscopic characterization of the new synthesized heterocyclic aromatic organic compound ethyl −2-{[4-ethyl −5-(quinolin- 8-yloxymethyl) -4H- 1,2,4-triazol −3-yl] sulfanyl} acetate (abbreviated by Q-tsa) was carried out using experimental FTIR ...
Merzouk Saidj, Ahmed Djafri, Rachida Rahmani, Nour El Houda Belkafouf, Nourdine Boukabcha, A. Djafri, A. Chouaih   +6 more
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The study of inter and intramolecular hydrogen bonds of NLO crystal melaminium hydrogen malonate using DFT simulation, AIM analysis and Hirshfeld surface analysis

, 2020
The analysis of inter and intramolecular interactions in a crystalline network, throws light on structure dependent crystalline properties. The DFT computation and crystal structural analysis of Melaminium hydrogen malonate (MHM) molecule has been ...
K. Sangeetha, S. Rajina, M. Marchewka, J. Binoy   +3 more
semanticscholar   +1 more source

The Aim of the Training Analysis

Journal of the American Psychoanalytic Association, 2006
Although the training analysis is considered by many to be the most important element of a candidate's analytic training, its aim remains unclear. Some think of the training analysis as being a strictly therapeutic tool, while others assign it a more frankly educational role.
Deborah L, Cabaniss, Hillery, Bosworth
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Reflections on the Aim of Child Analysis

The Psychoanalytic Study of the Child, 1991
Childhood disturbances can best be studied in a developmental frame of reference. Following Anna Freud, the authors distinguish between outcome aims and intermediary aims. They present the analyses of a child and an adolescent to demonstrate how these aims affect the nature and progression of treatment.
H, Kennedy, G, Moran
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Kinetic Analysis of Fingers During Aimed Throwing

Motor Control, 2018
This study had two objectives: (a) revealing the difference in finger segments between the conventional and finger models during aimed throwing and (b) examining the central nervous system’s timing control between the wrist torque and finger torque. Participants were seven baseball players.
Shohei, Shibata, Yuki, Inaba, Shinsuke, Yoshioka, Senshi, Fukashiro   +3 more
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Headlamp Aim Adjustment Deflection Analysis

SAE Technical Paper Series, 2017
<div class="section abstract"><div class="htmlview paragraph">It is common to see application of simulations to Support product development, being parts, sub-system or complete product, like a passenger vehicle. Another possible application of the simulation is to simulate assembly of parts and sub-systems.
Israel João Cancino Junior, Roberto P Ramos, Alex Fabian Fragoso Lima, Flávio Bréglia Sales   +3 more
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Introduction: Aims, Access and Analysis

2005
The research on which this book is based is an extension of inquiries that each of us has been conducting separately for many years. All three of us share interests in the ‘fault lines’ of French and British societies. We are all concerned with the inequalities and injustices that accompany social divisions along lines of class, ‘race’, ethnicity and ...
James A. Beckford, Danièle Joly, Farhad Khosrokhavar   +2 more
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