Citation Impact
Citing Papers
Analytical second derivatives for excited electronic states using the single excitation configuration interaction method: theory and application to benzo[a]pyrene and chalcone
1999
Unique Guest‐Inclusion Properties of a Breathing Ionic Crystal of K3[Cr3O(OOCH)6(H2O)3][α‐SiW12O40]⋅16 H2O
2003
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
2020 StandoutNobel
Cholesterol, sphingolipids, and glycolipids: What do we know about their role in raft-like membranes?
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Modifying enzyme activity and selectivity by immobilization
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Green Chemistry: Principles and Practice
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The Bacterial Cell Envelope
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Supercritical Fluid Extraction of Natural Antioxidants from Rosemary: Comparison with Liquid Solvent Sonication
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Flexible metal–organic frameworks
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Molecular dynamics simulation in the grand canonical ensemble
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The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building
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Solubility of chelating agents and metal-containing compounds in supercritical fluid carbon dioxide
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Essential Oils in Food Preservation: Mode of Action, Synergies, and Interactions with Food Matrix Components
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Applied Biotransformations in Green Solvents
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GLYCAM06: A generalizable biomolecular force field. Carbohydrates
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Biocatalytic Reaction And Recycling by Using CO2‐Induced Organic–Aqueous Tunable Solvents
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Recovery of cobalt from spent lithium-ion batteries using supercritical carbon dioxide extraction
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High capacity hydrogenstorage materials: attributes for automotive applications and techniques for materials discovery
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Iron Catalysis in Organic Synthesis
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Ultrastrong and Stiff Layered Polymer Nanocomposites
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Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. I. Polydispersed polymer systems
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Water in Supercritical Carbon Dioxide Microemulsions: Spectroscopic Investigation of a New Environment for Aqueous Inorganic Chemistry
1997
CO2 Capture by a Task-Specific Ionic Liquid
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New Directions in Inorganic and Metal-Organic Coordination Chemistry in Supercritical Fluids
1999
Molecular simulation of aqueous electrolytes: Water chemical potential results and Gibbs-Duhem equation consistency tests
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Computer Simulation of Liquids
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Molecular Basis of Bacterial Outer Membrane Permeability Revisited
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Conversion of Biomass into Chemicals over Metal Catalysts
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Multiple unit processing using sub- and supercritical fluids
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Oxidation of Alkenes with H2O2 by an in-Situ Prepared Mn(II)/Pyridine-2-carboxylic Acid Catalyst and the Role of Ketones in Activating H2O2
2012 StandoutNobel
CHEM21 selection guide of classical- and less classical-solvents
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Reversible in situ acid formation for β-pinene hydrolysis using CO2expanded liquid and hot water
2004
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
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ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
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Chitosan—A versatile semi-synthetic polymer in biomedical applications
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Bacterial Resistance to β-Lactam Antibiotics: Compelling Opportunism, Compelling Opportunity
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Carbonate mineralization of volcanic province basalts
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A critical look at reactions in class I and II gas-expanded liquids using CO2 and other gases
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Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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Controlling the Aqueous Miscibility of Ionic Liquids: Aqueous Biphasic Systems of Water-Miscible Ionic Liquids and Water-Structuring Salts for Recycle, Metathesis, and Separations
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Reactivity of α-pinene epoxide in supercritical solvents
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Sustainable Reactions in Tunable Solvents
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NWChem: Past, present, and future
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Homogeneous Catalysis in Supercritical Fluids
1999 StandoutNobel
Hybrid Organic−Inorganic Polyoxometalate Compounds: From Structural Diversity to Applications
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Physicochemical Properties and Structures of Room-Temperature Ionic Liquids. 3. Variation of Cationic Structures
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High-Pressure Phase Behavior of Ionic Liquid/CO2 Systems
2001
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
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Elastic Properties of a Single Lamella of Montmorillonite by Molecular Dynamics Simulation
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Green and Sustainable Solvents in Chemical Processes
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Aerobic Copper-Catalyzed Organic Reactions
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A review of ionic liquids towards supercritical fluid applications
2007
Adiabatic time-dependent density functional methods for excited state properties
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Electrostatic Interactions Affect Nanoparticle-Mediated Toxicity to Gram-Negative Bacterium Pseudomonas aeruginosa PAO1
2009
Polymer nanotechnology: Nanocomposites
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Free-Energy Calculations in Materials Research
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Controlling the Synthesis and Assembly of Silver Nanostructures for Plasmonic Applications
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Recent Advances in the Liquid-Phase Syntheses of Inorganic Nanoparticles
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Molecular Modeling in Mineralogy and Geochemistry
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An in situ acidic carbon dioxide/glycol system for aerobic oxidative iodination of electron-rich aromatics catalyzed by Fe(NO3)3·9H2O
2014
Opportunities for process intensification using reverse micelles in liquid and supercritical carbon dioxide
1999
Simulation study for adsorption-induced structural transition in stacked-layer porous coordination polymers: Equilibrium and hysteretic adsorption behaviors
2013
In situ acidic carbon dioxide/water system for selective oxybromination of electron-rich aromatics catalyzed by copper bromide
2012
An overview of current status of carbon dioxide capture and storage technologies
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Chemistry and Properties of Nanocrystals of Different Shapes
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Ionic Liquid (Molten Salt) Phase Organometallic Catalysis
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A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
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The Path Forward for Biofuels and Biomaterials
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Density and viscosity of several pure and water-saturated ionic liquids
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Reversible in Situ Catalyst Formation
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Origins, Current Status, and Future Challenges of Green Chemistry
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Polymer synthesis and processing using supercritical carbon dioxide
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Experimental approach of CO2 biomineralization in deep saline aquifers
2008
Synthesis of Silver and Copper Nanoparticles in a Water-in-Supercritical-Carbon Dioxide Microemulsion
2001
Modeling Ionic Liquids Using a Systematic All-Atom Force Field
2004 Standout
Density Functional Theory Model of Adsorption Deformation
2006
Coupling chiral homogeneous biocatalytic reactions with benign heterogeneous separation
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Grand canonical molecular dynamics
2003
Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation
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Gas-Expanded Liquids
2007
Biocatalysis in Supercritical Fluids, in Fluorous Solvents, and under Solvent-Free Conditions
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Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2005 Standout
Works of Robert M. Shroll being referenced
Molecular Basis for Microbial Adhesion to Geochemical Surfaces: Computer Simulation of Pseudomonas aeruginosa Adhesion to Goethite
2003
Molecular structure of the outer bacterial membrane of Pseudomonas aeruginosa via classical simulation
2002
Molecular Dynamics Simulations of the Goethite-water Interface
2003
pH-Defining Equilibrium between Water and Supercritical CO2. Influence on SFE of Organics and Metal Chelates
1995
Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling
1999
Excited-state gradients viaCPHF equations
1995
Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling
1999