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Chemistry

D-Index
61
Citations
41092
World Ranking
9090
National Ranking
651

Overview

Andreas Klamt is affiliated with the University of Regensburg in Germany. Their research primarily spans the fields of Chemistry and Biochemistry, Genetics and Molecular Biology, with specific subfields including Molecular Biology, Electrochemistry, and Spectroscopy.

Their work addresses several scientific topics, notably:

  • Lipid Membrane Structure and Behavior
  • Electrochemical Analysis and Applications
  • Molecular Sensors and Ion Detection

Among the recent publications credited to Andreas Klamt is the paper titled COSMOperm: Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH Dependence, published in 2020 in The Journal of Physical Chemistry B.

Throughout their career, Klamt has contributed to at least one publication in The Journal of Physical Chemistry B.

Frequent coauthors collaborating with Andreas Klamt include:

  • Johannes Schwöbel
  • Andrea Ebert
  • Kai Bittermann
  • Uwe Huniar
  • Kai-Uwe Goss

Best Publications

  • COSMO : a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

    A. Klamt;G. Schüürmann

  • Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

    Andreas Klamt

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Refinement and Parametrization of COSMO-RS

    Andreas Klamt;Volker Jonas;and Thorsten Bürger;John C. W. Lohrenz

  • Fast solvent screening via quantum chemistry: COSMO‐RS approach

    Frank Eckert;Andreas Klamt

  • COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids

    Andreas Klamt;Frank Eckert

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • Incorporation of solvent effects into density functional calculations of molecular energies and geometries

    Jan Andzelm;Christoph Kölmel;Andreas Klamt

  • Treatment of the outlying charge in continuum solvation models

    Andreas Klamt;Volker Jonas

  • COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design

    Andreas Klamt

  • COSMO Implementation in TURBOMOLE: Extension of an efficient quantum chemical code towards liquid systems

    Ansgar Schäfer;Andreas Klamt;Diana Sattel;John C. W. Lohrenz

  • Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS).

    Sebastian Sinnecker;Arivazhagan Rajendran;Andreas Klamt;Michael Diedenhofen

  • The COSMO and COSMO-RS solvation models

    Andreas Klamt

  • COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

    Andreas Klamt;Frank Eckert;Wolfgang Arlt

  • Comment on the correct use of continuum solvent models.

    Junming Ho;Andreas Klamt;Michelle L. Coote

  • COSMO-RS as a tool for property prediction of IL mixtures—A review

    Michael Diedenhofen;Andreas Klamt

  • Room Temperature Ionic Liquids as Replacements for Conventional Solvents - A Review

    Kenneth N. Marsh;Alex Deev;Alex C-T. Wu;Emma Tran

  • The COSMO and COSMO‐RS solvation models

    Unknown

  • A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach

    A. Klamt;C. Moya;J. Palomar

  • First Principles Calculations of Aqueous pKa Values for Organic and Inorganic Acids Using COSMO−RS Reveal an Inconsistency in the Slope of the pKa Scale

    Andreas Klamt;Frank Eckert;Michael Diedenhofen;Michael E. Beck

  • COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics

    Andreas Klamt

Frequent Co-Authors

Ross Taylor
Ross Taylor Clarkson University
Kai-Uwe Goss
Kai-Uwe Goss Helmholtz Centre for Environmental Research
Dieter Brüggemann
Dieter Brüggemann University of Bayreuth
Ingo Krossing
Ingo Krossing University of Freiburg
Todd J. Martínez
Todd J. Martínez Stanford University
Didier Touraud
Didier Touraud University of Regensburg
Andreas Bender
Andreas Bender University of Cambridge
Brian J. Smith
Brian J. Smith QIMR Berghofer Medical Research Institute
Thomas J. Müller
Thomas J. Müller Leibniz Association
Wouter Maes
Wouter Maes Hasselt University

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