Citation Impact
Citing Papers
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
Numerical self-consistent reaction field study of intramolecular charge transfer in p-(dimethylamino)-benzonitrile
1997
Electron Transfer from the Tetraheme Cytochrome to the Special Pair in the Rhodopseudomonas viridis Reaction Center: Effect of Mutations of Tyrosine L162
1995 Nobel
Nature of biological electron transfer
1992 StandoutNature
Natural engineering principles of electron tunnelling in biological oxidation–reduction
1999 StandoutNature
Electron Sharing and Anion–π Recognition in Molecular Triangular Prisms
2013 StandoutNobel
Dinuclear Monointercalating RuII Complexes That Display High Affinity Binding to Duplex and Quadruplex DNA
2006
Rack‐induced bonding in blue‐copper proteins
1994
Crystal structures of Λ-[Ru(phen)2dppz]2+ with oligonucleotides containing TA/TA and AT/AT steps show two intercalation modes
2012
DNA‐Based Asymmetric Catalysis
2005 StandoutNobel
Crystal structure of Δ-[Ru(bpy)2dppz]2+ bound to mismatched DNA reveals side-by-side metalloinsertion and intercalation
2012
Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes
2014 StandoutNobel
Electronics using hybrid-molecular and mono-molecular devices
2000 StandoutNature
Electron Delocalization in a Rigid Cofacial Naphthalene‐1,8:4,5‐bis(dicarboximide) Dimer
2014 StandoutNobel
High hopes: can molecular electronics realise its potential?
2012 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
Ab Initio Evaluation of the Potential Surface for General Base- Catalyzed Methanolysis of Formamide: A Reference Solution Reaction for Studies of Serine Proteases
2000 StandoutNobel
Recent Developments in the Chemistry of Deoxyribonucleic Acid (DNA) Intercalators: Principles, Design, Synthesis, Applications and Trends
2009
Confinement of Single Polysilane Chains in Coordination Nanospaces
2015 StandoutNobel
Short-Circuiting the Molecular Wire: Cooperative Binding of Δ-[Ru(phen)2dppz]2+ and Δ-[Rh(phi)2bipy]3+ to DNA
1997
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
2003 Standout
A Tunable Photosensor
2008 StandoutNobel
Optical Control of Photogenerated Ion Pair Lifetimes: An Approach to a Molecular Switch
1996 Science
Photoexpulsion of Surface-Grafted Ruthenium Complexes and Subsequent Release of Cytotoxic Cargos to Cancer Cells from Mesoporous Silica Nanoparticles
2013 StandoutNobel
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
2007 Standout
Charge transfer in aminobenzonitriles: do they twist?
1996
Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile
2000
Organic Photoredox Catalysis
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The emerging role of computational design in peptide macrocycle drug discovery
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Signaling Recognition Events with Fluorescent Sensors and Switches
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Diazapyrenium cored dendrimers: electron poor guests for a molecular cliphost
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Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
2000
Electronic Transition Dipole Moment Directions of Reduced Anionic Flavin in Stretched Poly(vinyl alcohol) Films
2007
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
2002 StandoutNobel
Hybridization of MOFs and polymers
2017 StandoutNobel
Recognition and Reaction of Metallointercalators with DNA
1999 Standout
Ultrafast solvation dynamics at binding and active sites of photolyases
2010 StandoutNobel
Ab Initio Study of the Electronic Excited States in 4-(N,N-Dimethylamino)benzonitrile with Inclusion of Solvent Effects: The Internal Charge Transfer Process
2000
DNA Is Not a Molecular Wire: Protein-like Electron-Transfer Predicted for an Extended π-Electron System
1996
Excited state structure of 4-(dimethylamino)benzonitrile studied by femtosecond mid-infrared spectroscopy and ab initio calculations
1999
Chiroptical Molecular Switches
2000 StandoutNobel
Photophysical Evidence That Δ- and Λ-[Ru(phen)2(dppz)]2+ Intercalate DNA from the Minor Groove
1997
Structure, strain, and reorganization energy of blue copper models in the protein
2001
Aggregation-Induced Emission: Together We Shine, United We Soar!
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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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NMR Study of the Sequence-Specific Binding of the Δ-Tris(ethylenediamine)cobalt(III) Cation with d(TCGGGATCCCGA)2
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Whence Molecular Electronics?
2004 StandoutScienceNobel
Monolayer Rectifiers
2002
The sequential Monte Carlo-quantum mechanics methodology. Application to the solvent effects in the Stokes shift of acetone in water
2003
Unimolecular Electrical Rectifiers
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Ultrafast unequilibrated charge transfer: A new channel in the quenching of fluorescent biological probes
2005 Nobel
Photophysics and Mechanisms of Intramolecular Electronic Energy Transfer in Bichromophoric Molecular Systems: Solution and Supersonic Jet Studies
1996
A multiconfiguration self-consistent field/molecular dynamics study of the (n→π*)1 transition of carbonyl compounds in liquid water
2000
A [2]Catenane-Based Solid State Electronically Reconfigurable Switch
2000 StandoutScienceNobel
Molecular rectification using a gold/(LB film)/gold structure
2001
Molecular rectification: asymmetric current–voltage curves from self-assembled monolayers of a donor–(π-bridge)–acceptor dye
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Hydrocarbon Hydroxylation by Cytochrome P450 Enzymes
2009
Theoretical Study of the Photophysics of Adenine in Solution: Tautomerism, Deactivation Mechanisms, and Comparison with the 2-Aminopurine Fluorescent Isomer
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Ab Initio Investigation of Reaction Pathways for Intramolecular Charge Transfer in Dimethylanilino Derivatives
1998
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
Force Field Optimization Guided by Small Molecule Crystal Lattice Data Enables Consistent Sub-Angstrom Protein–Ligand Docking
2021 StandoutNobel
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Ru(phen)2dppz2+ Luminescence: Dependence on DNA Sequences and Groove-Binding Agents
1998
Ultrafast Photoinduced Symmetry-Breaking Charge Separation and Electron Sharing in Perylenediimide Molecular Triangles
2015 StandoutNobel
Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices
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Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization
1996
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1
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Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins
2017
Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes
2011
Shedding Light on Excited-State Structures by Theoretical Analysis of Femtosecond Transient Infrared Spectra: Intramolecular Charge Transfer in 4-(Dimethylamino)benzonitrile
2000
Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases
2001
Synthesis of donor–acceptor molecules bridged by turned oligopeptides and their photo-induced electron-transfer process
1992
Long-Range Electronic Coupling in Bis(cyclometalated) Ruthenium Complexes
1998 StandoutNobel
Ultrafast Dynamics of Flavins in Five Redox States
2008 StandoutNobel
Ab initio calculations and supersonic jet studies on the geometry of 4-dimethylaminobenzonitrile (DMABN) and related compounds in the ground and excited state
1998
Solvent Effects on the Electronic Spectra: An Extension of the Polarizable Continuum Model to the ZINDO Method
2004
A 1H NMR Study of the DNA Binding of Ruthenium(II) Polypyridyl Complexes
1998
A Theoretical Examination of the Solvent Dependence of the Metal-to-Ligand Charge-Transfer Band in Amino Ruthenium Complexes
1998
Molecular-Based Electronically Switchable Tunnel Junction Devices
2001 StandoutNobel
Recent advances on ultrafast X-ray spectroscopy in the chemical sciences
2014
DNA-Based Asymmetric Catalysis: Sequence-Dependent Rate Acceleration and Enantioselectivity
2008 StandoutNobel
Solvent effects on electronic spectra studied by multiconfigurational perturbation theory
1997
Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers
2013 StandoutNobel
Mechanical Bonds and Topological Effects in Radical Dimer Stabilization
2014 StandoutNobel
Theoretical Study of Excitation Energy Transfer in DNA Photolyase
2008
Electron Tunneling Pathways and Role of Adenine in Repair of Cyclobutane Pyrimidine Dimer by DNA Photolyase
2012 StandoutNobel
Electron Transfer Between Bases in Double Helical DNA
1999 Science
Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution: A TD-DFT Quantum Mechanical Study
2004
Development of Conductive Organic Molecular Assemblies: Organic Metals, Superconductors, and Exotic Functional Materials
2007
Environmental effects on the photophysics of transition metal complexes with dipyrido[2,3-a:3′,2′-c]phenazine (dppz) and related ligands
2011
A 1H NMR Study of the Binding of Δ-[Ru(phen)2DPQ]2+ to the Hexanucleotide d(GTCGAC)2. Evidence for Intercalation from the Minor Groove
1997
Electrical Conductance of Conjugated Oligomers at the Single Molecule Level
2007 StandoutNobel
Protein Electron Transfer Rates Set by the Bridging Secondary and Tertiary Structure
1991 Science
Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: NonempiricalAb InitioCalculations
1999
Quantum Mechanical Continuum Solvation Models
2005 Standout
Electrical Rectification by a Monolayer of Hexadecylquinolinium Tricyanoquinodimethanide Measured between Macroscopic Gold Electrodes
2001
Theoretical Study of Guanine from Gas Phase to Aqueous Solution: Role of Tautomerism and Its Implications in Absorption and Emission Spectra
2001
A Comparative Theoretical Study on DMABN: Significance of Excited State Optimized Geometries and Direct Comparison of Methodologies
2002
Molecular rectification: dipole reversal in a cationic donor–(π-bridge)–acceptor dye
2002
The Localized-to-Delocalized Transition in Mixed-Valence Chemistry
2001
Design of Novel Inorganic−Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests
2002 StandoutNobel
A two-dimensional Born–Oppenheimer treatment of intramolecular electron transfer reactions
1998
Structural Basis of Type II Topoisomerase Inhibition by the Anticancer Drug Etoposide
2011 StandoutScience
Ultrafast Dynamics and Anionic Active States of the Flavin Cofactor in Cryptochrome and Photolyase
2008 StandoutNobel
All about (N-hexadecylquinolin-4-ium-1-yl)methylidenetricyanoquinodimethanide, a unimolecular rectifier of electrical current
2000
Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site
2023 StandoutNobel
Investigations of the excited-state properties of isocytosine: An ab initio approach
2000
Medium Effects on Charge Transfer in Metal Complexes
1998
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
2009 Standout
Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin
2003 StandoutNobel
Enzyme-Controlled Nitrogen-Atom Transfer Enables Regiodivergent C–H Amination
2014 StandoutNobel
Binuclear 1,2,4,5-Tetraimino-3,6-diketocyclohexane Bis[bis(Bipyridine)ruthenium(II)] Redox Series
1999
Femtosecond dynamics of DNA-mediated electron transfer
1999 StandoutNobel
Density Functional Study of Excited Charge Transfer State Formation in 4-(N,N-Dimethylamino)benzonitrile
1998
Picosecond Time-Resolved Study of 4-Dimethylaminobenzonitrile in Polar and Nonpolar Solvents
2000
Works of Anders Broo being referenced
The emission spectum of p-N,N-dimethylaminobenzonitrile
1994
Transferable force field for crystal structure predictions, investigation of performance and exploration of different rescoring strategies using DFT-D methods
2016
State-of-the-art Tools for Computational Site of Metabolism Predictions: Comparative Analysis, Mechanistical Insights, and Future Applications
2007
A Theoretical Investigation of the Physical Reason for the Very Different Luminescence Properties of the Two Isomers Adenine and 2-Aminopurine
1998
Assignment of Electronic Transition Moment Directions of Adenine from Linear Dichroism Measurements
1997
Solubility prediction from first principles: a density of states approach
2018
Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. III. Geometry and absorption spectrum of CH3-αP3CNQ
1995
Ground- and Excited-State Properties of Molecular Complexes between Adenine and 2,7-Diazapyrene and Its N-Methylated Cations
1997
A theoretical investigation of the solution N(7) H ? N(9) H tautomerism of adenine
1995
Ab Initio and Semiempirical Calculations of Geometry and Electronic Spectra of Ruthenium Organic Complexes and Modeling of Spectroscopic Changes upon DNA Binding
1997
Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. IV. Geometry and device properties of P3CNQ and Q3CNQ
1995
Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. I. Donor-π-spacer-acceptor
1993
Connection between Structure, Electronic Spectrum, and Electron-Transfer Properties of Blue Copper Proteins
1995
Electron transfer due to through-bond interactions. Study of aliphatic chains
1990
Ab initio and semi-empirical studies of electron transfer and spectra of binuclear complexes with organic bridges
1992
Calculation of electron transfer rates in proteins
2009
Calculations of the absorption and emission spectra of p-N,N-dimethylaminobenzonitrile and analogues in solution
1995
Diastereomeric DNA-Binding Geometries of Intercalated Ruthenium(II) Trischelates Probed by Linear Dichroism: [Ru(phen)2DPPZ]2+and [Ru(phen)2BDPPZ]2+
1996
Ab initio MP2 and DFT calculations of geometry and solution tautomerism of purine and some purine derivatives
1996
Calculations and Characterization of the Electronic Spectra of DNA Bases Based on ab Initio MP2 Geometries of Different Tautomeric Forms
1997
Development of a Hybrid Quantum Chemical and Molecular Mechanics Method with Application to Solvent Effects on the Electronic Spectra of Uracil and Uracil Derivatives
1997
IR Transition Moments of 1,3-Dimethyluracil: Linear Dichroism Measurements and ab Initio Calculations
1994
Electron transfer in azurin and the role of aromatic side groups of the protein
1991