Citation Impact
Citing Papers
Theoretical Chemistry of Gold
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One Century of Aryne Chemistry
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Energy-adjusted a b i n i t i o pseudopotentials for the first row transition elements
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1989
Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections
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The importance of diffuse f functions for transition metals
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Van der Waals heterostructures and devices
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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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Clusters: Structure, Energetics, and Dynamics of Intermediate States of Matter
1996
Probing C 60
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A comparison of classical trajectory and statistical unimolecular rate theory calculations of Al3 decomposition
1994
Electronic states of Cu+4, Ag+4, and Au+4: Interpretation of the optical spectra of Cu+4
1991
Removal of phenol by heterogenous photo electro Fenton-like process using nano-zero valent iron
2012
UPS of 2–30-atom carbon clusters: Chains and rings
1988 StandoutNobel
Photophysics of buckminsterfullerene and other carbon cluster ions
1988 StandoutNobel
Boron dimer: dissociation energy and ionization potentials
1990 StandoutNobel
Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods
1987
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
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2002
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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Challenges for Density Functional Theory
2011 Standout
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1998 StandoutNobel
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
An Evaluation of Harmonic Vibrational Frequency Scale Factors
2007 Standout
Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties
1994 Standout
Conceptual Density Functional Theory
2003 Standout
Fluorescence studies of laser vaporized aluminum: Evidence for A 3Πu ground state of aluminum dimer
1989
Determination of Peroxidase-Like Activity of Magnetic Particles: Basic Platforms for Peroxidase Biosensors
2015
Nanosphere Lithography: A Versatile Nanofabrication Tool for Studies of Size-Dependent Nanoparticle Optics
2001 Standout
Highly correlated systems. Excitation energies of first row transition metals Sc–Cu
1989
Absorption spectra of small silver clusters Ag (n⩾3)
1999 StandoutNobel
Semiempirical hybrid density functional with perturbative second-order correlation
2006 Standout
Why does unrestricted Mo/ller–Plesset perturbation theory converge so slowly for spin-contaminated wave functions?
1988 StandoutNobel
Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
1992 Standout
Molecular hyperpolarizabilities
1993
A b i n i t i o second- and fourth-order Mo/ller–Plesset study on structure, stabilization energy, and stretching vibration of benzene⋅⋅⋅X (X=He,Ne,Ar,Kr,Xe) van der Waals molecules
1992
Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn
2005
Nanomaterials with enzyme-like characteristics (nanozymes): next-generation artificial enzymes (II)
2018 Standout
Highly correlated systems. Ionization energies of first row transition metals Sc–Zn
1989
Ab initio electronic structure of anions
1987
Unraveling Nanotubes: Field Emission from an Atomic Wire
1995 StandoutScienceNobel
Structure, stability, and fragmentation of small carbon clusters
1987
Low valent and would-be multiply bonded derivatives of the Group 13 metals Al, Ga and In revealed through matrix isolation
2002
Databases for Transition Element Bonding: Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations
2005
Reply to comment on: Coupled cluster approach or quadratic configuration interaction?
1990 StandoutNobel
Direct Observation of a Dark State in the Photocycle of a Light-Driven Molecular Motor
2016 StandoutNobel
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions
2006 Standout
Analysis of experiments on ion-induced nucleation and aerosol formation in the presence of UV light and ionizing radiation
2009 StandoutNobel
Accurate theoretical estimates of the electron affinities of AH molecules by isogyric comparisons. Proton affinities of AH− anions
1988 StandoutNobel
Electrogenerated Chemiluminescence and Its Biorelated Applications
2008 Standout
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
2002 Standout
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Density Functionals with Broad Applicability in Chemistry
2008 Standout
Benchmark calculations with correlated molecular wave functions. VI. Second row A2 and first row/second row AB diatomic molecules
1994
Femtosecond dynamics of dative bonding: Concepts of reversible and dissociative electron transfer reactions
1999 StandoutNobel
Spectroscopy and electronic structure of jet-cooled Al2
1990
Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon
1995 Standout
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Femtosecond Real-Time Probing of Reactions. 24. Time, Velocity, and Orientation Mapping of the Dynamics of Dative Bonding in Bimolecular Electron Transfer Reactions
1999 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Electronic spectra of mono-olefins. RPA calculations on ethylene, propene, and cis- and trans-2-butene
1985
Photoelectron spectra of the alkali metal cluster anions: Na−n=2–5, K−n=2–7, Rb−n=2–3, and Cs−n=2–3
1989
Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon
1995 Standout
Hyperpolarizabilities and polarizabilities of neon: Discrepancy between theory and experiment
1989
Current Status of Transition-State Theory
1996 Standout
Structure and bonding in small aluminum clusters
1991
Ultraviolet photoelectron spectroscopy and photofragmentation studies of excess electrons in potassium iodide cluster anions
1992 StandoutNobel
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
1998 Standout
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
1993 Standout
Strongly bound multiply excited states of B+2 and B2
1989
From bulk crystals to atomically thin layers of group VI-transition metal dichalcogenides vapour phase synthesis
2016
Colloidal PbS Nanocrystals with Size‐Tunable Near‐Infrared Emission: Observation of Post‐Synthesis Self‐Narrowing of the Particle Size Distribution
2003 Standout
The physics of simple metal clusters: experimental aspects and simple models
1993 Standout
Theory of Dipole-Bound Anions
2003
Slow convergence of the møller-plesset perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical
1987 StandoutNobel
Ab initiopseudopotential–local-density description of the structural properties of small carbon clusters
1988
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
2002 Standout
Works of K. Sunil being referenced
Simultaneous determination of amiloride HCl, hydrochlorothiazide and atenolol in combined formulations by derivative spectroscopy
1998
Spectrophotometric Determination of Hydrogen Peroxide in Water and Cream Samples
2008
Theoretical study of the bonding in CuH and Cu2
1985
Theoretical study of the dipole moment, polarizability, and their derivatives for the CO molecule
1988
Application of the MC SCF method to the π → π* excitation energies of ethylene
1984
Theoretical investigation of the structure and stability of AlCO and Al(CO)2 and their cations
1987
Theoretical investigation of the low-lying electronic states of Cu, Zn, and their ions
1985
Theoretical investigation of the a 3Σ+u, A 1Σ+u, c 3Σ+g, and C 1Σ+g potential energy curves of He2 and of He*(2 1S, 2 3S)+He scattering
1983
Determination of the energies and spectroscopic constants of the low-lying electronic states of aluminum dimers (Al2, Al2+, and Al2-)
1988
The importance of f functions and 3d electron correlation effects in the bonding in diatomic copper (Cu2)
1985
Theoretical study of the NaClNaCl− ↔ ClNaNaCl− interconversion
1989
Negative ion formation in alkali halide clusters
1987
Theoretical study of the vertical electron affinity and ionization potentials of C3
1984
Theoretical study of the 2Σu+ and 2Σg+ states of Li2− and Na2−
1984
The growth and thermodynamical feasibility of tungsten diselenide single crystals using chemical vapour transport technique
1997