Standout Papers
- Predissociation of the 4pπL1Π Rydberg state of carbon monoxide (2002)
- Lifetime Measurements of the [ITAL]E[/ITAL] [TSUP]1[/TSUP]Π, [FORMULA][F]v=0[/F][/FORMULA] and [FORMULA][F]v=1[/F][/FORMULA] States of [TSUP]12[/TSUP]C[TSUP]16[/TSUP]O, [TSUP]13[/TSUP]C[TSUP]16[/TSUP]O, and [TSUP]13[/TSUP]C[TSUP]18[/TSUP]O (1998)
Citation Impact
Citing Papers
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
2003 Standout
Accurate description of van der Waals complexes by density functional theory including empirical corrections
2004 Standout
Isotope-induced partial localization of core electrons in the homonuclear molecule N2
2005 Nature
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
2006 Standout
Noncoordinating Anions—Fact or Fiction? A Survey of Likely Candidates
2004 Standout
Solvation free energies of molecules. The most stable anionic tautomers of uracil
2008 StandoutNobel
Precise Access to the Molecular-Frame Complex Recombination Dipole through High-Harmonic Spectroscopy
2017 StandoutNobel
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations
2002 Standout
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
1992 Standout
Experimental and theoretical studies of the F+H2 transition state region via photoelectron spectroscopy of FH−2
1993
Lifetime and predissociation yield of N214 b 1Πu(v=1)
2004 StandoutNobel
Accelerating QM/MM Free Energy Calculations: Representing the Surroundings by an Updated Mean Charge Distribution
2008 StandoutNobel
Double-slit photoelectron interference in strong-field ionization of the neon dimer
2019 Standout
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
1998 StandoutNobel
Azole-Based Energetic Salts
2011 Standout
Extreme ultraviolet laser excitation of isotopic molecular nitrogen: The dipole-allowed spectrum of 15N2 and 14N15N
2003
Negative-ion photodetachment as a probe of bimolecular transition states: the F + H2 reaction
1991
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models
1998 Standout
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction
1994 Standout
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
1999 Standout
Skiing the Reaction Rate Slopes
1992 StandoutScienceNobel
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
1993 Standout
Attosecond physics
2009 StandoutNobel
Random-matrix theory of quantum transport
1997 Standout
Coupled cluster theory for high spin, open shell reference wave functions
1993 Standout
Extreme ultraviolet interferometry measurements with high-order harmonics
2000 StandoutNobel
Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties
1994 Standout
Conceptual Density Functional Theory
2003 Standout
Predissociation in b 1Πu,v (v=1,4,5,6) levels of N2
2000
Extreme-ultraviolet high-order harmonic pulses in the microjoule range
2002 StandoutNobel
Lifetime measurements on the , v=0, 1 and 2 states of molecular nitrogen
2001
Anion−Water Clusters A-(H2O)1-6, A = OH, F, SH, Cl, and Br. An Effective Fragment Potential Test Case
2003
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Semiempirical hybrid density functional with perturbative second-order correlation
2006 Standout
Electronic Structure of CH3NH3PbX3 Perovskites: Dependence on the Halide Moiety
2014
Bimolecular reactions observed by femtosecond detachment to aligned transition states: Inelastic and reactive dynamics
1996 StandoutNobel
Predicting electron affinities with density functional theory: Some positive results for negative ions
1997
An analysis of dipole polarizabilities using density functional theory: N2, H2, F− and HF
1997
Basis-set convergence of correlated calculations on water
1997 Standout
Theoretical study on high-spin to low-spin transition of {Fe(pyrazine)[Pt(CN)4]}: Guest-induced entropy decrease
2011 StandoutNobel
Absolute Photoionization Cross Sections of Excited He States in the Near-Threshold Region
1999 StandoutNobel
Protic Ionic Liquids: Properties and Applications
2007 Standout
Adiabatic time-dependent density functional methods for excited state properties
2002 Standout
High Harmonic Generation at Long Wavelengths
1999 StandoutNobel
Pump–probe lifetime measurements on singlet ungerade states in molecular nitrogen
2004 StandoutNobel
On the heat of formation of carbonyl fluoride, CF2O
1996
Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities
1998 StandoutNobel
Property-optimized Gaussian basis sets for molecular response calculations
2010 Standout
Laser Coulomb-explosion imaging of small molecules
2005 StandoutNobel
Coupled-cluster theory in quantum chemistry
2007 Standout
A simple and efficient CCSD(T)-F12 approximation
2007 Standout
The Explosive “Inert” Anion CB11(CF3)12-
2000
Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon
1995 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
The hydrogen atom in a uniform magnetic field — An example of chaos
1989
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Prediction of the Formation and Stabilities of Energetic Salts and Ionic Liquids Based on ab Initio Electronic Structure Calculations
2005
Current Status of Transition-State Theory
1996 Standout
Concerning the applicability of density functional methods to atomic and molecular negative ions
1996
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
1999 Standout
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Simplified CCSD(T)-F12 methods: Theory and benchmarks
2009 Standout
Overcoming the electroluminescence efficiency limitations of perovskite light-emitting diodes
2015 StandoutScience
Works of P. Cacciani being referenced
High-resolution determination of the electron affinity of fluorine and bromine using crossed ion and laser beams
1989
Experimental Studies of a Diamagnetic Multiplet in Odd Rydberg States of Lithium
1986
Anticrossing effects in odd Rydberg states of Li in the presence of a magnetic field
1986
Predissociation of the 4pπL1Π Rydberg state of carbon monoxide
2002 StandoutNobel
Narrow-band tunable extreme-ultraviolet laser source for lifetime measurements and precision spectroscopy
1997
Predissociation Induced by Ungerade-Gerade Symmetry Breaking in6 Li 7 Li
2000
Predissociation induced by ungerade-gerade symmetry breaking in theB 1 Π u 6 Li 7 Li
2001
Predissociation in theB 1 Π u 6 Li 7 Li :
2003
Lifetime Measurements of the [ITAL]E[/ITAL] [TSUP]1[/TSUP]Π, [FORMULA][F]v=0[/F][/FORMULA] and [FORMULA][F]v=1[/F][/FORMULA] States of [TSUP]12[/TSUP]C[TSUP]16[/TSUP]O, [TSUP]13[/TSUP]C[TSUP]16[/TSUP]O, and [TSUP]13[/TSUP]C[TSUP]18[/TSUP]O
1998 StandoutNobel