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Partial charge
Quantum-Chemical Descriptors in QSAR/QSPR Studies
Electron Paramagnetic Resonance of Radicals and Metal Complexes. 2. International Conference of the Polish EPR Association. Wars
Arxiv:1711.08955V1 [Cond-Mat.Mes-Hall] 24 Nov 2017
Charge-Density Analysis of a Protein Structure at Subatomic Resolution
Modeling Organic Electronic Materials: Bridging Length and Time Scales
Effects of Partial Charge-Transfer Solute – Solvent Interactions in Absorption Spectra of Aromatic Hydrocarbons in Aqueous and Alcoholic Solutions
Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi
Electron Paramagnetic Resonance of Radicals and Metal Complexes
Thomas W. Shattuck Department of Chemistry Colby College Waterville, Maine 04901 2
Improved Partial Charge Models in Siliceous Zeolites for the Simulation of Adsorption and Identification of Catalytic Sites
Ws 3- Dipole Moment.Docx Page 1 of 3 Alscher
Electronic Structure and Partial Charge Distribution of Doxorubicin Under Different Molecular Environments
003-Chapter from Chemistry 3 (ES)
The Charge State of Pt in Binary Compounds and Synthetic Minerals Determined by X-Ray Absorption Spectroscopy and Quantum Chemical Calculations
Accurate Partial Atomic Charges for High-Energy Molecules Using Class IV Charge Models with the MIDI!
Structural Dynamics and Charge Transfer in Electronically Excited N,N′‑Dimethylpiperazine † ‡ ‡ Sanghamitra Deb, , Xinxin Cheng, and Peter M
An Integrative Synthetic, Spectroscopic, and Computational Study of the Free Radical Chlorine Dioxide and Its Interactions with Hydrogen Bonded Networks Sarah C
6-En-And-Polarity-Homework-Answers
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Structure, Spectroscopy and Dynamics of Halogen Molecules Interacting with Water Margarita I
Using Electron Paramagnetic Resonance (EPR) Spectroscopy
The Crystal and Molecular Structure of Organophosphorus Insecticides Russell George Baughman Iowa State University
Optimization of Classical Nonpolarizable Force Fields for OH− and H3O+ Douwe Jan Bonthuis, Shavkat I
Classical Electrostatics for Biomolecular Simulations † ‡ § ∥ G
Effect of Structure on Charge Distribution in the Isatin Anions in Aprotic Environment: Spectral Study
Chemical Bonding and Molecular Geometry 345
Bond Polarity
Electrochemical Overhauser Dynamic Nuclear Polarization Cite This: Phys
Electron Counting in Solids: Oxidation States, Partial Charges and Ionicity
Graph Nets for Partial Charge Prediction
Charge Ordering Transition in Gdbaco2o5: Evidence of Reentrant
Chapter 8 Chemical Bonding
Force Fields for Protein Simulations
Lecture 4: Molecular Mechanics