Standout Papers
Citation Impact
Citing Papers
Occurrence of the potent mutagens 2- nitrobenzanthrone and 3-nitrobenzanthrone in fine airborne particles
2019 Standout
Metal–organic framework composites
2014 Standout
Understanding organofluorine chemistry. An introduction to the C–F bond
2007 Standout
Combination of Advanced Oxidation Processes and biological treatments for wastewater decontamination—A review
2010 Standout
Response surface methodology (RSM) as a tool for optimization in analytical chemistry
2008 Standout
Direct Synthesis of Large Water-Soluble Functionalized Gold Nanoparticles Using Bunte Salts as Ligand Precursors
2010
Fe3O4@MOF core–shell magnetic microspheres for magnetic solid-phase extraction of polychlorinated biphenyls from environmental water samples
2013
A statistical experiment design approach for advanced oxidation of Direct Red azo-dye by photo-Fenton treatment
2008
Hydroxymethylation and oxidation of Organosolv lignins and utilization of the products
2001
The molecular properties of nitrobenzanthrone isomers and their mutagenic activities
2013
Chemometric study of liquid water simulations. I. The parameters of the TIP4P model potential
2003
Chitosan-based dressings loaded with neurotensin—an efficient strategy to improve early diabetic wound healing
2013
Mistakes and inconsistencies regarding adsorption of contaminants from aqueous solutions: A critical review
2017 Standout
Transformation of phenazone-type drugs during chlorination
2012
Acidic oxidation of kraft lignin into aromatic monomers catalyzed by transition metal salts
2011
Electrochemical Applications of Silica-Based Organic−Inorganic Hybrid Materials
2001
Accelerating QM/MM Free Energy Calculations: Representing the Surroundings by an Updated Mean Charge Distribution
2008 StandoutNobel
Computer simulations of enzymatic reactions
1992 StandoutNobel
Carbon-13 nuclear magnetic resonance in solid ammonium tartrate
1974
Ab Initio Frozen Density Functional Calculations of Proton Transfer Reactions in Solution
1996 StandoutNobel
Self-consistent reaction field theory of solvent effects
1975
Astaxanthin extraction from Haematococcus pluvialis using CO2-expanded ethanol
2014
Beyond fossil fuel–driven nitrogen transformations
2018 StandoutScienceNobel
Bis(imino)pyridines: Surprisingly Reactive Ligands and a Gateway to New Families of Catalysts
2007 Standout
Surface enhanced Raman spectroscopy of molecular oxygen adsorbed on polydiacetylene single crystals
1981
Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
2018 Standout
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Controlled Release of the Herbicide, Fluometuron, from Matrix Granules Based on Fractionated Organosolv Lignins
2003
Water Analysis: Emerging Contaminants and Current Issues
2014 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
An ab initio molecular orbital study of the potential energy surface of the N2H → N2 + H system
1984 StandoutNobel
Conceptual Density Functional Theory
2003 Standout
Catalytic Transformation of Lignin for the Production of Chemicals and Fuels
2015 Standout
PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides
1975
Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium
1999 StandoutNobel
A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules
1990
Gasification of biomass model compounds and real biomass in supercritical water
2003
Functional Hydrogels as Wound Dressing to Enhance Wound Healing
2021 Standout
Cation−π Interactions: A Theoretical Investigation of the Interaction of Metallic and Organic Cations with Alkenes, Arenes, and Heteroarenes
2003
Gold Nanoparticles in Chemical and Biological Sensing
2012 Standout
Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N2, CO, CN−, HCN and HNC
1978
Critical Review of Pd-Based Catalytic Treatment of Priority Contaminants in Water
2012
Quantum-mechanical calculations of solvation free energies. A combined ab initio pseudopotential free-energy perturbation approach
1992 StandoutNobel
Surface-enhanced spectroscopy
1985 Standout
Green and Sustainable Solvents in Chemical Processes
2018 Standout
Revealing the diastereomeric nature of pincer terdentate nitrogen ligands 2,6-bis(arylaminomethyl)pyridine through coordination to palladium
2002
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
1996 Standout
Solvation Ultrafast Dynamics of Reactions. 14. Molecular Dynamics and ab Initio Studies of Charge-Transfer Reactions of Iodine in Benzene Clusters
1998 StandoutNobel
Environmental Implications of Hydroxyl Radicals (•OH)
2015 Standout
Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
1981 Standout
An overview of advances in biomass gasification
2016 Standout
A relationship between the molecular polarizability, molecular dipole moment and atomic electronegativities in AB and AB molecules
1994
Diamine Immobilization on Silica Gel through the Sol−Gel Process and Increase in the Organic Chain by Using Glutaraldehyde followed by Ethylenediamine
1997
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
A consideration of the correct calculation of thermodynamic parameters of adsorption
2007
Thermochemical biofuel production in hydrothermal media: A review of sub- and supercritical water technologies
2008 Standout
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
1996 Standout
Theoretical Investigations of Anion−π Interactions: The Role of Anions and the Nature of π Systems
2004
INDO and MINDO/3 atom-in-molecule polarizabilities
1981
Photoelectrochemical degradation of lignin
2000
Structural and Thermodynamic Aspects of Ionic Solvation in Concentrated Aqueous Poly(ethylene glycol)
2007
Lanthanide-Based Luminescent Hybrid Materials
2009 Standout
Optimization and statistical modeling of catalytic oxidation of 2-propanol over CuMnmCo2−mO4 nano spinels by unreplicated split design methodology
2012
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
Femtosecond dynamics of dative bonding: Concepts of reversible and dissociative electron transfer reactions
1999 StandoutNobel
Photo-controlled deactivation of immobilised lipase
2014 StandoutNobel
Microscopic models for quantum mechanical calculations of chemical processes in solutions: LD/AMPAC and SCAAS/AMPAC calculations of solvation energies
1992 StandoutNobel
Calculations of electrostatic energies in proteins
1985 StandoutNobel
Design, Operation and Optimization of Constructed Wetland for Removal of Pollutant
2020 Standout
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
Substituent Effects. 7. Phenyl Derivatives. When Is a Fluorine a π-Donor?
1998
Quantum Mechanical Continuum Solvation Models
2005 Standout
Integration of Porous Coordination Polymers and Gold Nanorods into Core–Shell Mesoscopic Composites toward Light-Induced Molecular Release
2013 StandoutNobel
Determination of atomic point charges and point dipoles from the Cartesian derivatives of the molecular dipole moment and second moments, and from energy second derivatives of planar dimers. I. Theory
1989
Theoretical investigation of Li and Be atom complexes with H2O
1985 StandoutNobel
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
2004 Standout
Recent Advances in the Catalytic Oxidation of Volatile Organic Compounds: A Review Based on Pollutant Sorts and Sources
2019 Standout
Hydrogen bonds between hydrogen halides and unsaturated hydrocarbons
1982 StandoutNobel
Molecular orbital calculation of some vibrational properties of the complex between HCN and HF
1973 StandoutNobel
Using central composite experimental design to optimize the degradation of real dye wastewater by Fenton and photo-Fenton reactions
2013
Demonstration of a Process for the Conversion of Kraft Lignin into Vanillin and Methyl Vanillate by Acidic Oxidation in Aqueous Methanol
2009
The Catalytic Valorization of Lignin for the Production of Renewable Chemicals
2010 Standout
Orientation of tensorial interactions determined from two-dimensional NMR powder spectra
1980 StandoutNobel
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
2002 Standout
Works of Roy E. Bruns being referenced
Statistical mixture design — Principal component determination of synergic solvent interactions for natural product extractions
2010
Mixture–mixture design for the fingerprint optimization of chromatographic mobile phases and extraction solutions for Camellia sinensis
2007
Box-Behnken design: An alternative for the optimization of analytical methods
2007 Standout
Statistical design-principal component analysis optimization of a multiple response procedure using cloud point extraction and simultaneous determination of metals by ICP OES
2006
The removal of Cu(II) and Co(II) from aqueous solutions using cross-linked chitosan—Evaluation by the factorial design methodology
2006
Factorial design and principal component analyses of the vibrational frequencies and infrared intensities of methane and silane
1997
Factorial design analysis of the catalytic activity of di‐imine copper(II) complexes in the decomposition of hydrogen peroxide
2001
Calculated Dipole-Moment Functions and the Infrared Intensities of HCN and N2O
1970
Vibrational intensities of F2CO, Cl2CO, and Br2CO
1973
Atomic Mean Dipole Moment Derivatives and GAPT Charges
2000
Controlled Release of 2,4-D from Granule Matrix Formulations Based on Six Lignins
1997
Study of the reaction conditions for the hydrodechlorination of pentachlorophenol on palladium catalysts
2007
On the structure of the benzene-chlorine complex: a CNDO study
1977
Identifying the origin of lignins and monitoring their structural changes by means of FTIR-PCA and -SIMCA
1999
Full factorial design applied to intercalation of amines in lamellar titanium phenylphosphonate and titanium phenylarsonate
2003
Split-plot design optimization for trace determination of lead by anodic stripping voltammetry in a homogeneous ternary solvent system
2004
Factorial design optimization of redox properties of methylene blue adsorbed on a modified silica gel surface
1997
A fractional factorial design applied to organofunctionalized silicas for adsorption optimization
1996
An electronegativity model for vibrational intensities of substituted methanes
1988
Regularities in calculated dipole moment derivatives of first row diatomic hydrides
1974
Multivariate statistical investigation of the effects of wave function modifications on the calculated vibrational frequencies and infrared intensities of CH2F2
1997
CNDO Calculation of Dipole-Moment Derivatives and Infrared Intensities of BF3
1971
32 Factorial design and response surface analysis optimization of N-carboxybutylchitosan synthesis
2004
A localized molecular orbital interpretation of the dipole moment derivatives of ammonia. A reexamination of the bond moment model description of infrared intensities
1976
Unreplicated split-plot mixture designs and statistical models for optimizing mobile chromatographic phase and extraction solutions for fingerprint searches
2007
Electronegativity Models for the Infrared Vibrational Intensities of the Halomethanes
1995
The polar tensors, atomic effective charges, and infrared vibrational intensities of C6H6, C6D6, and C6F6
1978
Resonant Raman effect and charge distribution in the TCNE-benzene charge transfer complex
1973