Citation Impact
Citing Papers
Observation of Wave-Packet Branching through an Engineered Conical Intersection
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Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory
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Automatic atom type and bond type perception in molecular mechanical calculations
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Dynamic Covalent Chemistry
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Cellulose nanomaterials review: structure, properties and nanocomposites
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Open Babel: An open chemical toolbox
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What vibrations tell about proteins
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One Century of Aryne Chemistry
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GLYCAM06: A generalizable biomolecular force field. Carbohydrates
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SwissParam: A fast force field generation tool for small organic molecules
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Nanochannel‐Promoted Polymerization of Substituted Acetylenes in Porous Coordination Polymers
2006 StandoutNobel
Photocatalytic Reduction of CO2 on TiO2 and Other Semiconductors
2013 Standout
Functional Molecular Flasks: New Properties and Reactions within Discrete, Self‐Assembled Hosts
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Molecular spectroscopy and dynamics: a polyad-based perspective
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Infrared spectroscopy of proteins
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ExCage
2014 StandoutNobel
Molecular Dynamics Simulations of Phospholipid Bilayers with Cholesterol
2003
A coupled cluster study of the 1 1A1g and 1 1B2u states of benzene
1998
Direct picosecond time resolution of unimolecular reactions initiated by local mode excitation
1986 StandoutNobel
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials
2020
Force Pulling of Single Cellulose Chains at the Crystalline Cellulose−Liquid Interface: A Molecular Dynamics Study
2009
Aggregation‐Induced Emission: The Whole Is More Brilliant than the Parts
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Chemistry of Polyvalent Iodine
2008 Standout
Rotational isomerism in methyl formate and methyl acetate; a low-temperature matrix infrared study using thermal molecular beams
1981
Highly Photoconducting π-Stacked Polymer Accommodated in Coordination Nanochannels
2012 StandoutNobel
An in-plane force field for p-benzoquinone and some structurally related molecules
1986
Global challenges and strategies for control, conversion and utilization of CO2 for sustainable development involving energy, catalysis, adsorption and chemical processing
2006 Standout
Adsorption of Acetaldehyde on Ice As Seen from Computer Simulation and Infrared Spectroscopy Measurements
2012
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
2013 Standout
Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations
2018 Standout
1,2‐Didehydrobenzol: ein gespanntes Alkin oder ein Cumulen? — NMR‐spektroskopische Charakterisierung in einem molekularen Container
1997
Vibrational overtone predissociation spectroscopy of hydrogen peroxide
1985
The use of arynes in organic synthesis
2003 Standout
Picosecond photofragment spectroscopy. II. The overtone initiated unimolecular reaction H2O2(vOH=5)→2OH
1987 StandoutNobel
Mechanistic Study of CO2 Photoreduction in Ti Silicalite Molecular Sieve by FT-IR Spectroscopy
2000
Conformation and Molecular Dynamics of Single Polystyrene Chain Confined in Coordination Nanospace
2008 StandoutNobel
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
The Sonogashira Reaction: A Booming Methodology in Synthetic Organic Chemistry
2007 Standout
Dynamic Combinatorial Chemistry
2006 Standout
Trends in Inversion Barriers IV. The Group 15 Analogous of Pyrrole
2002
Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo
1995
The microwave spectrum, structure, and barrier to internal rotation of selenoacetaldehyde, CH3CHSe
1978 StandoutNobel
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
2004 Standout
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
2000 Standout
Acetaldehyde photochemistry on TiO2(110)
2008
Vibrational analysis of amino acids: cysteine, serine, β-chloroalanine
1983
Adiabatic time-dependent density functional methods for excited state properties
2002 Standout
Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94
1996
Internal rotation in acetaldehyde
1976
The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
2007 Standout
Chain conformations and dynamics of crystalline polymers as observed in their inclusion compounds by solid-state NMR
2002
A Practical Method for the Synthesis of 2-Alkynylpropenals
2005
Resonance Raman Studies of the Iron(II)−α-Keto Acid Chromophore in Model and Enzyme Complexes
2001
Trapping of unstable conformations from thermal molecular beams in argon matrices: 1,2-difluoroethane and 1,3-butadiene, i.r. spectra and conformer equilibria
1981
Symmetry Numbers for Rigid, Flexible, and Fluxional Molecules: Theory and Applications
2010
Nanochannel‐Promoted Polymerization of Substituted Acetylenes in Porous Coordination Polymers
2006 StandoutNobel
Internal dynamics contributions to the CH stretching overtone spectra of gaseous monohydrogenated nitromethane NO2CHD2
1995
o‐Benzyne: Strained Alkyne or Cumulene?—NMR Characterization in a Molecular Container
1997
Anisotropy of the Induced Current Density (ACID), a General Method To Quantify and Visualize Electronic Delocalization
2005 Standout
Vibrational analysis of reduced and oxidized forms of polyaniline
1993 StandoutNobel
A surface science perspective on TiO2 photocatalysis
2011 Standout
Intramolecular Dynamics and Unimolecular Reactions
1988 StandoutNobel
Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculations
2006
Permutationally invariant potential energy surfaces in high dimensionality
2009 Standout
On the theory of the state distribution of the reaction products and rates of unimolecular dissociations
1988 StandoutNobel
Instrumentation for trace detection of high explosives
2004 Standout
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 Standout
Dynamische kovalente Chemie
2002 StandoutNobel
Organophosphorus π-Conjugated Materials
2006 Standout
Works of H. Hollenstein being referenced
Dipole moment function and equilibrium structure of methane in an analytical, anharmonic nine-dimensional potential surface related to experimental rotational constants and transition moments by quantum Monte Carlo calculations
1994
Vibrational analysis of pyruvic acid and D−, 13C− and 18O-labelled species: Matrix spectra, assignments, valence force field and normal coordinate analysis
1978
Butatrien durch Thermolyse von Propiolsäure‐(2‐propinyl)ester
1983
High resolution FTIR spectra of12CF3I,13CF3I and12CF379Br near 1050 cm-1and 550 cm-1
1985
Microwave and Infrared Spectra,ab InitioCalculation, and Two-Dimensional Model of Amino Group Inversion and Ring Puckering in 2,5-Dihydropyrrole
1996
Coriolis resonance in Cs-asymmetric tops
1980
Solid state and gas infrared spectra and normal coordinate analysis of 5 isotopic species of acetaldehyde
1971
High-resolution infrared spectrum and analysis of thev11, A2u(B2) fundamental band of12C6H6and13C12C5H6
1990
Vibrational spectra and intramolecular vibrational redistribution in highly excited deuterobromochlorofluoromethane CDBrClF: Experiment and theory
2000
A transferable valence force field for polyatomic molecules
1980
Sum of states, isometric group and symmetry number of nonrigid molecules
1980
Light-induced isomerization and photochemical transformation of methylformate in an argon matrix. Vibrational frequencies, force field, and normal coordinate analysis of trans-methylformate
1983