Standout Papers
Citation Impact
Citing Papers
Comprehensive computational design of ordered peptide macrocycles
2017 StandoutScienceNobel
Associating Imidazoles: Elucidating the Correlation between the Static Dielectric Permittivity and Proton Conductivity
2018
Dynamic imine chemistry
2012 StandoutNobel
Conjecture: Imines as Unidirectional Photodriven Molecular Motors—Motional and Constitutional Dynamic Devices
2006
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
2005 Standout
Chirality Recognition between Neutral Molecules in the Gas Phase
2008
Phase Measurement of Resonant Two-Photon Ionization in Helium
2010 StandoutNobel
Concise, aromatization-based approach to an elaborate C2-symmetric pyrenophane
2012
Great expectations: can artificial molecular machines deliver on their promise?
2011 StandoutNobel
Visible‐Light‐Driven Photoisomerization and Increased Rotation Speed of a Molecular Motor Acting as a Ligand in a Ruthenium(II) Complex
2015 StandoutNobel
Bose-Einstein condensation in the alkali gases: Some fundamental concepts
2001 StandoutNobel
Dynamics of intramolecular vibrational-energy redistribution (IVR). II. Excess energy dependence
1985 StandoutNobel
Molecular hyperfine structure in the photoassociation spectroscopy of laser cooled atoms
1994
Extracting subnanometer single shells from ultralong multiwalled carbon nanotubes
2005 StandoutNobel
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
2003 Standout
Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
2011 Standout
All-electron magnetic response with pseudopotentials: NMR chemical shifts
2001 Standout
How Different Are Aromatic π Interactions from Aliphatic π Interactions and Non-π Stacking Interactions?
2011
Localized molecular orbitals for aromatic molecules
1974
Picosecond excitation and selective intramolecular rates in supersonic molecular beams. I. SVL fluorescence spectra and lifetimes of anthracene and deuterated anthracenes
1984 StandoutNobel
Picosecond photofragment spectroscopy. III. Vibrational predissociation of van der Waals’ clusters
1987 StandoutNobel
Picosecond dynamics and photoisomerization of stilbene in supersonic beams. II. Reaction rates and potential energy surface
1984 StandoutNobel
Nitrogen nuclear quadrupole coupling constants in heterocyclic molecules from ab initio molecular-orbital wavefunctions
1969 StandoutNobel
Practical Aspects of Computational Chemistry
2009
Purely rotational coherence effect and time-resolved sub-Doppler spectroscopy of large molecules. I. Theoretical
1987 StandoutNobel
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Attosecond physics
2009 StandoutNobel
Observation of the 5 1Πu, 6 1Σu+, and 7 1Σu+ states of Na2 through a Franck–Condon window by all-optical triple resonance spectroscopy
1998
Getting into shape: Conformational and supramolecular landscapes in small biomolecules and their hydrated clusters
2001
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
1994 Standout
Molecular SCF Calculations for the Ground State of Some Three-Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2
1970
Picosecond observations of quantum-beat phenomena in 2,5-diphenylfuran and argon complexes
1991
Dynamics of intramolecular vibrational-energy redistribution (IVR). III. Role of molecular rotations
1985 StandoutNobel
Correlation of 29Si nuclear magnetic resonance chemical shifts in silicates with orbital energy differences obtained from X-ray spectra
1984
Picosecond dynamics and photoisomerization of stilbene in supersonic beams. I. Spectra and mode assignments
1984 StandoutNobel
Molecular Ansa-Basket: Synthesis of Inherently Chiral All-Carbon [12](1,6)Pyrenophane
2019 StandoutNobel
Aggregation-Induced Emission: Together We Shine, United We Soar!
2015 Standout
Jet spectroscopy of anthracene and deuterated anthracenes
1984 StandoutNobel
Direct Observation of Nonchaotic Multilevel Vibrational Energy Flow in Isolated Polyatomic Molecules
1984 StandoutNobel
Conceptual Density Functional Theory
2003 Standout
Femtosecond wave packet spectroscopy: Coherences, the potential, and structural determination
1993 StandoutNobel
Solvent Effects on Electronic Transitions of Highly Dipolar Dyes: A Comparison of Three Approaches
2004
Dynamics of intramolecular vibrational-energy redistribution (IVR). I. Coherence effects
1985 StandoutNobel
Light-Driven Molecular Motors: Imines as Four-Step or Two-Step Unidirectional Rotors
2014 Nobel
Absolute shielding scale for 31P from gas-phase NMR studies
1990
TIME -RESOLVED PHOTOELECTRON SPECTROSCOPY OF MOLECULES AND CLUSTERS
2001
Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets
1976 StandoutNobel
Localized Bonds in SCF Wavefunctions for Polyatomic Molecules. III C–H and C–C Bonds
1970 StandoutNobel
Dynamics and Proton Conduction of Heterogeneously Confined Imidazole in Porous Coordination Polymers
2022 StandoutNobel
Rotational band contour analysis of symmetries and interactions of vibrational levels in anthracene S1
1985 StandoutNobel
Thermal isomerization about double bonds
1974
Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods
1974 StandoutNobel
Anab initioSCF-LCAO-MO study of the phosphorus pyramidal inversion process in phosphine
1972 StandoutNobel
Mass Spectrometry Sampling Under Ambient Conditions with Desorption Electrospray Ionization
2004 StandoutScience
Allosteric Regulation of the Rotational Speed in a Light-Driven Molecular Motor
2016 StandoutNobel
Femtosecond Time-Resolved Photoelectron Spectroscopy
2004
A new class of rhodamine luminophores: design, syntheses and aggregation-induced emission enhancement
2010
Picosecond excitation and selective intramolecular rates in supersonic molecular beams. III. Photochemistry and rates of a charge transfer reaction
1984 StandoutNobel
Purely rotational coherence effect and time-resolved sub-Doppler spectroscopy of large molecules. II. Experimental
1987 StandoutNobel
Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies
2000
Real-time dynamics of clusters. III. I2Nen (n=2–4), picosecond fragmentation, and evaporation
1992 StandoutNobel
The accuracy of the pseudopotential approximation: non-frozen-core effects for spectroscopic constants of alkali fluorides XF (X = K, Rb, Cs)
1996
Quantum Mechanical Continuum Solvation Models
2005 Standout
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
The Proline-Catalyzed Direct Asymmetric Three-Component Mannich Reaction: Scope, Optimization, and Application to the Highly Enantioselective Synthesis of 1,2-Amino Alcohols
2002 StandoutNobel
Picosecond excitation and selective intramolecular rates in supersonic molecular beams. II. Intramolecular quantum beats and IVR
1984 StandoutNobel
Supersonic Jet Studies on the Photophysics of 4-Dimethylaminobenzonitrile (DMABN) and Related Compounds: on the Origin of the Anomalous Fluorescence of DMABN Clusters in a Supersonic Jet
1998
Experiments and theory in cold and ultracold collisions
1999
Femtosecond Dynamics of a Hydrogen-Bonded Model Base Pair in the Condensed Phase: Double Proton Transfer in 7-Azaindole
1998 StandoutNobel
Quantum chemistry in the condensed phase: an extended direct reaction field approach
1992
A new family of mesoporous molecular sieves prepared with liquid crystal templates
1992 Standout
Photoassociative spectroscopy of 1g, 0+u, and 0−g states of Na2
1994 StandoutNobel
Gas-phase enantioselectivity
2000
NMR studies of rate processes and conformations—XVIII
1970 StandoutNobel
Observation of restricted IVR in large molecules: Quasi-periodic behavior, phase-shifted and non-phase-shifted quantum beats
1983 StandoutNobel
Quasirelativistic f-in-core pseudopotentials and core-polarization potentials for trivalent actinides and lanthanides: molecular test for trifluorides
2009
Works of Ph. Millié being referenced
Orbitales mol�culaires S.C.F. localis�es. Etude de barri�res d'inversion
1970 StandoutNobel
Nonperturbative method for core–valence correlation in pseudopotential calculations: Application to the Rb2 and Cs2 molecules
1992
Perturbation calculation of transition moments in the ArH+ system
1980
Potential curves for the ground and excited states of the Na2 molecule up to the (3s+5p) dissociation limit: Results of two different effective potential calculations
1993
Vibrational redistribution in jet-cooled perylene intermediate coupling case
1983
Fluorescence spectra and intramolecular vibrational redistribution in jet-cooled perylene
1985
Dimerization of Xanthene Dyes in Water: Experimental Studies and Molecular Dynamic Simulations
2003
Intermolecular interactions: basis set and intramolecular correlation effects on semiempirical methods. Application to (C2H2)2, (C2H2)3 and (C2H4)2
1994
Vibrational spectra of 4-methylimidazole: assignment of modes and calculation of Raman and resonance Raman intensities at the ab initio 6-31G level
1995
An Experimental and Theoretical Study of Jet-Cooled Complexes of Chiral Molecules: The Role of Dispersive Forces in Chiral Discrimination
1998
Photoinduced electron transfer in isolated, jet-cooled molecular systems
1997
Calculation of the nuclear magnetic shielding of 29Si, 31P, 33S and 35Cl using a pseudo-potential method
1978
A time-resolved photoelectron study of the double excited-state proton-transfer reaction in 7-azaindole dimer
1997
Analyse conformationnelle th�orique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'Oxaziridine
1969 StandoutNobel
Substituent and Solvent Effects on the Nature of the Transitions of Pyrenol and Pyranine. Identification of an Intermediate in the Excited-State Proton-Transfer Reaction
2002
Analyse conformationnelle th�orique
1970 StandoutNobel