Citation Impact
Citing Papers
High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
2014 Standout
The role of liquid–liquid phase separation in aggregation of the TDP-43 low-complexity domain
2019 Standout
QM/MM Methods for Biomolecular Systems
2009 Standout
Localized orbital theory and ammonia triborane
2007
Oxidative stress, dysfunctional glucose metabolism and Alzheimer disease
2019 Standout
ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy
2013
Essential Role of Coiled Coils for Aggregation and Activity of Q/N-Rich Prions and PolyQ Proteins
2010 Nobel
The amyloidogenicity of a C-terminal region of TDP-43 implicated in Amyotrophic Lateral Sclerosis can be affected by anions, acetylation and homodimerization
2018
Intermediate tunnelling–hopping regime in DNA charge transport
2015
Pressure-induced phase transitions and superconductivity in a black phosphorus single crystal
2018 StandoutNobel
First-principles prediction of charge mobility in carbon and organic nanomaterials
2012
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
The ReaxFF reactive force-field: development, applications and future directions
2016 Standout
2D materials and van der Waals heterostructures
2016 StandoutScienceNobel
Improvements, trends, and new ideas in molecular docking: 2012–2013 in review
2015
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge
2015 StandoutNobel
Two-dimensional material nanophotonics
2014 Standout
Van der Waals heterostructures and devices
2016 Standout
Supramolecular Polymerization
2009 Standout
Mechanically Induced Metal–Insulator Transition in Carbyne
2014
The ORCA quantum chemistry program package
2020 Standout
Assessing Atomistic and Coarse-Grained Force Fields for Protein−Lipid Interactions: the Formidable Challenge of an Ionizable Side Chain in a Membrane
2008
Competitive Hydrogen Bonding in π‐Stacked Oligomers
2007
New Insights into Perfluorinated Sulfonic-Acid Ionomers
2017 Standout
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
2006
Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix
2006 StandoutNobel
A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
1999 Standout
Molpro: a general‐purpose quantum chemistry program package
2011 Standout
Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
2001
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
2008 StandoutNobel
Molecular-Scale Electronics: From Concept to Function
2016 Standout
Low-order scaling local electron correlation methods. V. Connected triples beyond (T): Linear scaling local CCSDT-1b
2002
DNA electronics
2006
A localized basis that allows fast and accurate second-order Møller-Plesset calculations
2005
Classification of Intrinsically Disordered Regions and Proteins
2014 Standout
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
2015 Standout
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
Engineering Biomolecular Self‐Assembly at Solid–Liquid Interfaces
2020 StandoutNobel
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
Maximally localized Wannier functions: Theory and applications
2012 Standout
A hybrid scheme for the resolution-of-the-identity approximation in second-order Møller–Plesset linear-r12 perturbation theory
2004
Direct computation of parameters for accurate polarizable force fields
2014
Self-assembling peptide and protein amyloids: from structure to tailored function in nanotechnology
2017
Role of Molecular Dynamics and Related Methods in Drug Discovery
2016
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Coupled-cluster theory in quantum chemistry
2007 Standout
Broad Family of Carbon Nanoallotropes: Classification, Chemistry, and Applications of Fullerenes, Carbon Dots, Nanotubes, Graphene, Nanodiamonds, and Combined Superstructures
2015 Standout
A simple and efficient CCSD(T)-F12 approximation
2007 Standout
A review of surfactants as corrosion inhibitors and associated modeling
2017 Standout
Color Control in π-Conjugated Organic Polymers for Use in Electrochromic Devices
2010 Standout
Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods
2019
Numerical application of the coupled cluster theory with localized orbitals to polymers. IV. Band structure corrections in model systems and polyacetylene
1997
Poly(thieno[3,4-b]furan), a New Low Band Gap Polymer: Experiment and Theory
2008
The MRCC program system: Accurate quantum chemistry from water to proteins
2020
Local treatment of electron correlation in coupled cluster theory
1996
A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
2001
Redox proteomics and amyloid β‐peptide: insights into Alzheimer disease
2018
Simplified CCSD(T)-F12 methods: Theory and benchmarks
2009 Standout
On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
2010 StandoutNobel
Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
2000
In-situ Measurement of Crystalline Lattice Strains in Polytetrafluoroethylene
2007
Works of Ferenc Bogár being referenced
Functionalization of gold nanoparticles with amino acid, β-amyloid peptides and fragment
2010
Studying the structural properties of polyalanine and polyglutamine peptides
2007
Applications of the many-body perturbation theory in the localized representation: structural effects in the correlation energy of normal saturated hyd
1991
Charge carrier mobility in quasi-one-dimensional systems: Application to a guanine stack
2003
Density functional crystal orbital study of cyano‐substituted poly(para‐phenylene‐vinylene) and poly(quinoxaline‐vinylene)
2006
Heat Shock Proteins and Autophagy Pathways in Neuroprotection: From Molecular Bases to Pharmacological Interventions
2018
B3LYP, BLYP and PBE DFT band structures of the nucleotide base stacks
2004
Charge transfer between the PO 4 -
2007
Many-body perturbation theory for spatially extended systems
1993
Hole mobilities of periodic models of DNA double helices in the nucleosomes at different temperatures
2013
The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs
2013
Localization of virtual orbitals
1990
Applications of the MBPT in the localized representation
1990
A QM/MM program using frozen localized orbitals and the Huzinaga equation
2015
On the Hofmeister Effect: Fluctuations at the Protein–Water Interface and the Surface Tension
2014
Correlation corrected energy bands of nucleotide base stacks
1998
Correlation-corrected energy bands of polymers with large unit cell: poly(para-phenylene) and poly(peri-naphthalene)
1997
The study of normal saturated hydrocarbons in the localized representation of the MBPT
1988
Correlation and Localization
1999
Use of ab initio methods to classify four existing energy density functionals according to their possible variational validity
2009
Application of many‐body perturbation theory in the localized representation for the all‐trans conjugated polyenes
1994
Density-functional calculations of the elastic properties of some polymer chains
2000