THEORETICAL AND COMPUTATIONAL CHEMISTRY

Summary report of XL CALPHAD—Rio de Janeiro, Brasil, 2011

Materials Engineering / Thermodynamics / THEORETICAL AND COMPUTATIONAL CHEMISTRY

Dynamical disorder affected transient absorption spectra: the excess energy degradation model

THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Structure

Parametrization of low-energy symmetric (e, 2e) differential cross section measurements

Optical physics / THEORETICAL AND COMPUTATIONAL CHEMISTRY

Anomalous transport in plasmas

Quantum Chemistry / THEORETICAL AND COMPUTATIONAL CHEMISTRY

Mechanism Elucidation for Nonstochastic Femtosecond Laser-Induced Ionization/Dissociation: From Amino Acids to Peptides

Proteomics / Lasers / Peptides / Tandem Mass Spectrometry / Phosphorylation / Electrons / Amino Acids / Time Factors / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protons / Electrons / Amino Acids / Time Factors / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protons

Mechanism Elucidation for Nonstochastic Femtosecond Laser-Induced Ionization/Dissociation: From Amino Acids to Peptides

Proteomics / Lasers / Peptides / Tandem Mass Spectrometry / Phosphorylation / Electrons / Amino Acids / Time Factors / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protons / Electrons / Amino Acids / Time Factors / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protons

PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables

Algorithms / Research Design / Animals / Drug Design / Quantitative Structure Activity Relationship / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Databases / Lethal Dose / Cyprinidae / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Databases / Lethal Dose / Cyprinidae

Photochemistry of Anthracene-9,10-endoperoxide

THEORETICAL AND COMPUTATIONAL CHEMISTRY

Catalytic and physico-chemical properties of La1−xSrxCoO3 perovskites

CO oxidation / Steady state / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Composition / Physico chemical Properties / Catalytic Activity

Designing Antibacterial Compounds through a Topological Substructural Approach

Algorithms / Expert Systems / Chemical / Drug Design / Cluster Analysis / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / THEORETICAL AND COMPUTATIONAL CHEMISTRY

A generalized Landauer-Datta-Lundstrom electron transport model

THEORETICAL AND COMPUTATIONAL CHEMISTRY

Interaction of brassinolide with essential amino acid residues: A theoretical approach

Thermodynamics / Molecular / Computer Software / DFT calculation / Amino Acid Profile / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Biological activity / Brassinosteroids / Molecular Interactions / Biochemistry and cell biology / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Biological activity / Brassinosteroids / Molecular Interactions / Biochemistry and cell biology

Decomposition Pathways of Peroxynitrous Acid: Gas-Phase and Solution Energetics

Activation Energy / Complete Basis Set / THEORETICAL AND COMPUTATIONAL CHEMISTRY

Decomposition Pathways of Peroxynitrous Acid: Gas-Phase and Solution Energetics

Activation Energy / Complete Basis Set / THEORETICAL AND COMPUTATIONAL CHEMISTRY

Energy Transfer from Dye–Zeolite L Antenna Crystals to Bulk Silicon

Supramolecular Chemistry / Fluorescence / Chemical Bonds / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Energy Transfer

Approach to potential energy surfaces by neural networks. A review of recent work

Quantum Chemistry / Monte Carlo / Self Assembly / Neural Network / Quantum / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Potential Energy Surface / Feed Forward Neural Network / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Potential Energy Surface / Feed Forward Neural Network

«
1
2
3
4
5
6
7
8
»

Copyright © 2017 DATOSPDF Inc.