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Partial charge

  • Quantum-Chemical Descriptors in QSAR/QSPR Studies

    Quantum-Chemical Descriptors in QSAR/QSPR Studies

  • Electron Paramagnetic Resonance of Radicals and Metal Complexes. 2. International Conference of the Polish EPR Association. Wars

    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

    Arxiv:1711.08955V1 [Cond-Mat.Mes-Hall] 24 Nov 2017

  • Charge-Density Analysis of a Protein Structure at Subatomic Resolution

    Charge-Density Analysis of a Protein Structure at Subatomic Resolution

  • Modeling Organic Electronic Materials: Bridging Length and Time Scales

    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

    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

    Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi

  • Electron Paramagnetic Resonance of Radicals and Metal Complexes

    Electron Paramagnetic Resonance of Radicals and Metal Complexes

  • Thomas W. Shattuck Department of Chemistry Colby College Waterville, Maine 04901 2

    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

    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

    Ws 3- Dipole Moment.Docx Page 1 of 3 Alscher

  • Electronic Structure and Partial Charge Distribution of Doxorubicin Under Different Molecular Environments

    Electronic Structure and Partial Charge Distribution of Doxorubicin Under Different Molecular Environments

  • 003-Chapter from Chemistry 3 (ES)

    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

    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!

    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

    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

    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

    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


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