Citation Impact
Citing Papers
Reconstituting Organ-Level Lung Functions on a Chip
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Computing chiroptical properties with first‐principles theoretical methods: Background and illustrative examples
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On- and off column enantiomerization of 4,4′-bisquinolin-2-ones: A comparison of Auto-, DHPLcy2k and DCXplorer calculated thermodynamic data generated by dynamic high, performance liquid chromatography with theoretically calculated data
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Immunization with Peptide-Functionalized Carbon Nanotubes Enhances Virus-Specific Neutralizing Antibody Responses
2003
Spin-Polarized Tunneling Spectroscopy in Tunnel Junctions with Half-Metallic Electrodes
2005 StandoutNobel
Long-Range Nonlocal Flow of Vortices in Narrow Superconducting Channels
2004 StandoutNobel
Dynamics of collapsing and exploding Bose–Einstein condensates
2001 StandoutNatureNobel
Carbon nanotubes for the delivery of therapeutic molecules
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High-Tc superconducting materials for electric power applications
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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
2008 Standout
DNA Base Trimers: Empirical and Quantum Chemical Ab Initio Calculations versus Experiment in Vacuo
2006
Probing Time-Dependent Molecular Dipoles on the Attosecond Time Scale
2013 StandoutNobel
Van der Waals heterostructures
2013 StandoutNature
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
2006 Standout
Cooperative self-assembly: producing synthetic polymers with precise and concise primary structures
2012 StandoutNobel
Enhanced Pressure Dependence of Magnetic Exchange inA 2 + [ V 2 ] O 4
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The lithium intercalation process in the low-voltage lithium battery anode Li1+xV1−xO2
2011
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
Stereochemical Communication within a Chiral Ion Pair Catalyst
2015 StandoutNobel
Cellular localisation of a water-soluble fullerene derivative
2002
A satellite view of aerosols in the climate system
2002 StandoutNature
Structure and IR Spectrum of Phenylalanyl–Glycyl–Glycine Tripetide in the Gas‐Phase: IR/UV Experiments, Ab Initio Quantum Chemical Calculations, and Molecular Dynamic Simulations
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Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
2003 Standout
Electronic structure calculations with dynamical mean-field theory
2006 Standout
A Nitro‐Modified Luminescent Hydrogen‐Bonded Organic Framework for Non‐Contact and High‐Contrast Sensing of Aromatic Amines
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A single-molecule diode
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Toxic Potential of Materials at the Nanolevel
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Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
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Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
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In vivo studies of fullerene-based materials using endohedral metallofullerene radiotracers
1999
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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Computer Simulation of Liquids
2017 Standout
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
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Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules
2019 StandoutNobel
Odd-momentum pairing and superconductivity in vertical graphene heterostructures
2012
Preparation and characterization of thin CsAu films
1991 StandoutNobel
Charge transfer in CsCl-structure intermetallic compounds
1979
An Evaluation of Harmonic Vibrational Frequency Scale Factors
2007 Standout
A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy
1999
Conceptual Density Functional Theory
2003 Standout
Understanding Cooperativity in Hydrogen-Bond-Induced Supramolecular Polymerization: A Density Functional Theory Study
2010
Dissociative hydrogen adsorption on nickel surfaces: Absence of a magnetocatalytic effect
1984 StandoutNobel
A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons
1998
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
2004
Critical number of atoms for attractive Bose-Einstein condensates with cylindrically symmetrical traps
2001
The energy as a functional of the charge density and the charge-density susceptibility: A simple, exact, nonlocal expression for the electronic energy of a molecule
2002
Anomalous perovskite PbRuO 3 stabilized under high pressure
2013 StandoutNobel
The broadening reach of frustrated Lewis pair chemistry
2016 StandoutScience
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Laser production of supersonic metal cluster beams
1981 StandoutNobel
Preparation and photoionization potentials of molecules of sodium, potassium, and mixed atoms
1978
Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
2008
Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene
2019 StandoutNobel
Electronic excitations: density-functional versus many-body Green’s-function approaches
2002 Standout
Realistic Cluster Modeling of Electron Transport and Trapping in Solvated TiO2 Nanoparticles
2012 StandoutNobel
Delocalization and charge disproportionation inLa ( 1 − x ) Sr x MnO 3
2004
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
2007
The flux-line lattice in superconductors
1995
Insights into Current Limitations of Density Functional Theory
2008 StandoutScience
Theoretical Studies To Understand Surface Chemistry on Carbon Anodes for Lithium-Ion Batteries: Reduction Mechanisms of Ethylene Carbonate
2001
Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions
2005
octopus:a tool for the application of time‐dependent density functional theory
2006
Porous organic polymers for light-driven organic transformations
2022
Pressure-induced phase transitions in solid Si,SiO 2 ,
1998
Supersonic cluster beams of III–V semiconductors: GaxAsy
1986 StandoutNobel
Research Development on Sodium-Ion Batteries
2014 Standout
Tests of second-generation and third-generation density functionals for thermochemical kineticsElectronic supplementary information (ESI) available: Mean errors for pure and hybrid DFT methods. See http://www.rsc.org/suppdata/cp/b3/b316260e/
2004
Quantum Mechanical Continuum Solvation Models
2005 Standout
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
Tuning current rectification across molecular junctions
2004
Representative Benchmark Suites for Barrier Heights of Diverse Reaction Types and Assessment of Electronic Structure Methods for Thermochemical Kinetics
2006
Revealing Noncovalent Interactions
2010 Standout
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
1999 Standout
Chemistry of Carbon Nanotubes
2006 Standout
The Beijing Density Functional (BDF) Program Package: Methodologies and Applications
2003
Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules
2002
Reducing CO2 to Methanol Using Frustrated Lewis Pairs: On the Mechanism of Phosphine–Borane-Mediated Hydroboration of CO2
2014
Quasi-Homogeneous Photocatalysis in Ultrastiff Microporous Polymer Aerogels
2024 StandoutNobel
Application of 25 density functionals to dispersion-bound homomolecular dimers
2004
From molecules to solids with the DMol3 approach
2000 Standout
Nanotoxicology: An Emerging Discipline Evolving from Studies of Ultrafine Particles
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Aerosol Effect on Cloud Droplet Size Monitored from Satellite
2002 Science
Hybrid functionals based on a screened Coulomb potential
2003 Standout
Basic Density-Functional Theory an Overview
2004
Reversible Conductance Switching in Molecular Devices
2008 StandoutNobel
Relativistic regular two-component Hamiltonians
1993 Standout
Empirical correction to density functional theory for van der Waals interactions
2002
Works of Mrinmay Das being referenced
Electronic density functional theory : recent progress and new directions
1998
Freezing of the vortex liquid in the high-Tc superconductors
1994
Work functions of alkali metals
1975
Effect of surface magnetic fields on dissociation of adsorbed molecules
1979
Self-consistent relativistic density-functional theory: Application to neutral uranium atom and some ions of lithium isoelectronic sequence
1980
Antigenicity of fullerenes: Antibodies specific for fullerenes and their characteristics
1998
BOSE-EINSTEIN CONDENSATION OF ATOMS WITH ATTRACTIVE INTERACTION
1999
1989
Redox-active and semi-conducting donor–acceptor conjugated microporous polymers as metal-free ORR catalysts
2018
Charge‐transfer effects in alkali‐noble metal alloys
1975