Citation Impact
Citing Papers
MICAN : a protein structure alignment algorithm that can handle Multiple-chains, Inverse alignments, C α only models, Alternative alignments, and Non-sequential alignments
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Numerical self-consistent reaction field study of intramolecular charge transfer in p-(dimethylamino)-benzonitrile
1997
Molecular dynamics simulations and their application to four-stranded DNA
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Marker centre estimation algorithms in CCD camera-based motion analysis
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Characterization of the Monovalent Ion Position and Hydrogen‐Bond Network in Guanine Quartets by DFT Calculations of NMR Parameters
2005
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Energetics of charge transfer reactions in solvents of dipolar and higher order multipolar character. I. Theory
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1998
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Classical Electrostatics in Biology and Chemistry
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Continuum and Dipole-Lattice Models of Solvation
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Solvent Effect on the Electronic Structure of Molecules Studied by the Langevin Dipoles/Monte Carlo Approach
1997
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
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Solvation Free Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density Functional Theory for the Solute
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VB resonance theory in solution. I. Multistate formulation
1995
Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries
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Hydrogen bonding, stacking and cation binding of DNA bases
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Solvent dramatically affects protein structure refinement
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Solvation of chromone using combined Discrete/SCRF models
1998
Functional π-Gelators and Their Applications
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Energy correction to simulation of volume polarization in reaction field theory
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New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
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1999
Charge penetration in dielectric models of solvation
1997
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New strategies to incorporate the solvent polarization in self-consistent reaction field and free-energy perturbation simulations
1995
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1991
Theoretical description of solvent effects on fluorescence spectra of bulky charge transfer compound DMA-DMPP
1998
Ultrafast Dynamics of Flavins in Five Redox States
2008 StandoutNobel
Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models
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A new method for incorporating solvent effect into the classical, ab initio molecular orbital and density functional theory frameworks for arbitrary shape cavity
1995
Solvent Effects on the Electronic Spectra: An Extension of the Polarizable Continuum Model to the ZINDO Method
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The exciton binding energy in luminescent conjugated polymers
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On precision limits for derivatives numerically calculated from noisy data
1982
Langevin Dipoles Model for ab Initio Calculations of Chemical Processes in Solution: Parametrization and Application to Hydration Free Energies of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solution
1997 StandoutNobel
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
1998 Standout
Calculation of Lennard-Jones energies of molecular fluids
1996
Reaction field spectral shifts with semiempirical molecular orbital theory
1997
Thioamides as Useful Synthons in the Synthesis of Heterocycles
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Polarization of the nucleic acid bases in aqueous solution
1992
Partially Bonded Molecules from the Solid State to the Stratosphere
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A study of NMR chemical shielding in water clusters derived from molecular dynamics simulations
1994
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
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Evaluation of Models of Electrostatic Interactions in Proteins
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Quantum Mechanical Continuum Solvation Models
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A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation
2002
Cavity size in reaction field theory
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The Role of Aromaticity in the Planarity of Lumiflavin
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Functional organogel based on a hydroxyl naphthanilide derivative and aggregation induced enhanced fluorescence emission
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Synthesis, characterization and optical properties of aryl and diaryl substituted phenanthroimidazoles
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Theoretical evaluation of medium effects on absorption maxima of molecular solutes. I. Formulation of a new method based on the self-consistent reaction field theory
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Structural Dynamics and Cation Interactions of DNA Quadruplex Molecules Containing Mixed Guanine/Cytosine Quartets Revealed by Large-Scale MD Simulations
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Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
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Design of higher valency in covalent organic frameworks
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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
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Works of Thomas Steinke being referenced
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Ring Chain Transformations. XII [1] Synthesis of N-(3-Aminothioacryloyl)lactam Imines and their Transformation to 4-(?-Amino-alkyl)thiazoles or N-(Thien-2-yl)lactam Imines
1993
Density functional study of guanine and uracil quartets and of guanine quartet/metal ion complexes
2000
Solvation Effects on Geometry and Chemical Shifts. An Ab Initio/IGLO Reconciliation of Apparent Experimental Inconsistencies on H3B · NH3
1991
Computational evidence for stable inorganic fullerene-like structures of ceramic and semiconductor materials
2001
The solvent effect on the electronic nature of 1,3-dipoles: an ab initio SCRF study
1989
A numerical self-consistent reaction field (SCRF) model for ground and excited states in NDDO-based methods
1993
Kinematics of normal locomotion—A statistical study based on T.V. data
1974
Einfluß des Lösungsmittels auf Geometrie und chemische Verschiebung; Auflösung scheinbarer experimenteller Widersprüche für H3B · NH3 mit ab‐initio/IGLO‐Rechnungen
1991