Standout Papers
Citation Impact
Citing Papers
Synthesis of Hydrogels from Polyallylamine with Carbon Dioxide as Gellant: Development of Reversible CO2 Absorbent
2010
[(CF3)3BCP]− and [(CF3)3BCAs]−: Thermally Stable Phosphaethynyl and Arsaethynyl Complexes
2004
Direct hydrodeoxygenation of raw woody biomass into liquid alkanes
2016
Computational Comparison of the Reactions of Substituted Amines with CO2
2010
Stimuli-responsive supramolecular polymeric materials
2012 Standout
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
2007 Standout
Infrared spectroscopy of proteins
2007 Standout
The Hydrogen Bond in the Solid State
2002 Standout
Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase
2004
Antifouling Coatings: Recent Developments in the Design of Surfaces That Prevent Fouling by Proteins, Bacteria, and Marine Organisms
2010 Standout
Molecular Conformation and Solvation of Oligo(ethylene glycol)-Terminated Self-Assembled Monolayers and Their Resistance to Protein Adsorption
1997
Formation and Structure of Self-Assembled Monolayers
1996 Standout
Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane
2001
Calculations of Hydration Entropies of Hydrophobic, Polar, and Ionic Solutes in the Framework of the Langevin Dipoles Solvation Model
1999 StandoutNobel
Structure and Nanostructure in Ionic Liquids
2015 Standout
Pair potentials for the interaction energy of Li+, Na+, K+, and NH+4 with organic molecules
1987
The teraton challenge. A review of fixation and transformation of carbon dioxide
2009 Standout
Self-Assembled Monolayers of Thiolates on Metals as a Form of Nanotechnology
2005 Standout
Observing the water molecule in macromolecules and aqueous media using infrared spectrometry
2003
Theoretical study of Si2Hn (n=0–6) and Si2H+n (n=0–7): Appearance potentials, ionization potentials, and enthalpies of formation
1991 StandoutNobel
Polarization of Water in the First Hydration Shell of K+ and Ca2+ Ions
2008
Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
2018 Standout
Thermal Decomposition of the Non-Interstitial Hydrides for the Storage and Production of Hydrogen
2004 Standout
Molecular Structure and Conformation of Ethyl Methyl Ether as Studied by Gas Electron Diffraction
1978
Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests
2008
Catalysis for the Valorization of Exhaust Carbon: from CO2to Chemicals, Materials, and Fuels. Technological Use of CO2
2013 Standout
Polysilane Organogel with Hierarchical Structures Formed by Weak Intra-/Inter-chain Si/FC and van der Waals Interactions
2008
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
2015 Standout
Electron spin resonance of polyacetylene and AsF5-doped polyacetylene
1979 StandoutNobel
Conformational Equilibria of β-Alanine and Related Compounds as Studied by NMR Spectroscopy
1998
Hydrides of the Main-Group Metals: New Variations on an Old Theme
2001
EUKARYOTIC CYTOSINE METHYLTRANSFERASES
2005 Standout
Bright Side of Lignin Depolymerization: Toward New Platform Chemicals
2018 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Blue-Shifting Hydrogen Bonds
2000 Standout
Carrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics
1997 Standout
Computational Modeling and Simulation of CO2Capture by Aqueous Amines
2017
Functionalization of Coordination Nanochannels for Controlling Tacticity in Radical Vinyl Polymerization
2010 StandoutNobel
Photocatalytic Oxidation of Gaseous Formaldehyde on TiO2: An In Situ DRIFTS Study
2010
“Water-in-salt” electrolyte enables high-voltage aqueous lithium-ion chemistries
2015 StandoutScience
Computational chemistry study of reactions, equilibrium and kinetics of chemical CO2 absorption
2007
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
Effect of Steric Hindrance on Carbon Dioxide Absorption into New Amine Solutions: Thermodynamic and Spectroscopic Verification through Solubility and NMR Analysis
2003
Theoretical study of the silicon–oxygen hydrides SiOHn (n=0–4) and SiOH+n (n=0–5): Dissociation energies, ionization energies, enthalpies of formation, and proton affinities
1993 StandoutNobel
Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution
2011
Fundamental Properties of the CH···O Interaction: Is It a True Hydrogen Bond?
1999
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Semiconducting π-Conjugated Systems in Field-Effect Transistors: A Material Odyssey of Organic Electronics
2011 Standout
The accuracy of ab initio molecular geometries for systems containing second-row atoms
2005
6‐31G* basis set for third‐row atoms
2001 StandoutNobel
CH/π hydrogen bonds in organic and organometallic chemistry
2009
Thermoplastic Elastomers Based on Ionic Liquid and Poly(vinyl alcohol)
2011
Maximally localized Wannier functions: Theory and applications
2012 Standout
Effects of Unsaturated Metal Sites on Radical Vinyl Polymerization in Coordination Nanochannels
2011 StandoutNobel
Electronic excitations: density-functional versus many-body Green’s-function approaches
2002 Standout
Helical Polymers: Synthesis, Structures, and Functions
2009 Standout
New selenophene-based semiconducting copolymers for high performance organic thin-film transistors
2009
The geometrical isotope effect of C–H⋯O type hydrogen bonds revealed by multi-component molecular orbital calculation
2004
Superoxide Ion: Generation and Chemical Implications
2016 Standout
Red-, Blue-, or No-Shift in Hydrogen Bonds: A Unified Explanation
2007
Coupled-cluster theory in quantum chemistry
2007 Standout
INS and IR and NMR Spectroscopic Study of C1−C4Alcohols Adsorbed on Alkali Metal-Exchanged Zeolite X
2004
Hybrid treatment combining the translation- and rotation-free nuclear orbital plus molecular orbital theory with generator coordinate method: TRF-NOMO/GCM
2006 StandoutNobel
Langevin Dipoles Model for ab Initio Calculations of Chemical Processes in Solution: Parametrization and Application to Hydration Free Energies of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solution
1997 StandoutNobel
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels–Alder Reactions of Cyclohexadienones with Cyclopentadiene
2020 StandoutNobel
Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes
2016 StandoutNobel
Hirshfeld surface analysis
2008 Standout
The Halogen Bond
2016 Standout
π-Bonding and the Lone Pair Effect in Multiple Bonds between Heavier Main Group Elements
1999 Standout
Stereospecific Living Radical Polymerization: Dual Control of Chain Length and Tacticity for Precision Polymer Synthesis
2009
Coupled electron pair calculations for R-C E molecules (E = N, P, As or Sb)
1992
Comparison of 6‐31G*‐based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules
1993
Structure and dynamics of monohydroxy alcohols—Milestones towards their microscopic understanding, 100 years after Debye
2014
Hydrogen-bonded multilayers of self-assembling silanes: structure elucidation by combined Fourier transform infra-red spectroscopy and X-ray scattering techniques
1995
Impact of Molecular Clustering inside Nanopores on Desorption Processes
2013 StandoutNobel
CF2H, a Hydrogen Bond Donor
2017 Standout
Molecular Origin of Blood‐Based Infrared Spectroscopic Fingerprints**
2021 StandoutNobel
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
1988 Standout
Force Constants of Molybdenum− and Tungsten−Pnictogen Triple Bonds
1996 StandoutNobel
Simple alkyldisilanes: MM2 and ab initio studies of their structures and barriers to rotation
1989
Stabilities of the C−H···O Bonded Complexes of the Haloforms HCClnF3-n (n = 0−3) with Dimethyl Ether, Oxirane, and Acetone: An Experimental and Theoretical Study
2005
Gas phase acidities and molecular geometries of H3SiOH, H3COH, and H2O
1990
Computer control of electron spin resonance spectroscopy
1975
Confinement-Controlled, Either syn- or anti-Selective Catalytic Asymmetric Mukaiyama Aldolizations of Propionaldehyde Enolsilanes
2021 StandoutNobel
Carbon Dioxide Capture in Metal–Organic Frameworks
2011 Standout
A first principles investigation of water dipole moment in a defective continuous hydrogen bond network
2009
Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Levelab InitioMO Calculations
2010
The fluorine effect on the stability of phosphaalkenes, phosphasilenes, oxophosphane, thioxophosphane and their rearranged isomers
1997
Mixed Debye-type liquids studied by dielectric, shear mechanical, nuclear magnetic resonance, and near-infrared spectroscopy
2014
Reversible, Metal-Free Hydrogen Activation
2006 StandoutScience
A b i n i t i o calculations of the interaction of ions with neutral ligands: I. Pair potentials for Na+/ether, Na+/thioether, and Na+/amide systems
1979
Works of Keiichi Ohno being referenced
The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory
2005
The vibration-rotation spectrum of C-fluorophosphaethyne FCP: Fermi resonance and harmonic force field
1983
Conformational Study of 1-Butanol by the Combined Use of Vibrational Spectroscopy and ab Initio Molecular Orbital Calculations
1994
The microwave spectra of deuterated silanes, germanes, and stannanes
1986
Vibrational Spectroscopic and ab Initio Studies on Conformations of the Chemical Species in a Reaction of Aqueous 2-(N,N-Dimethylamino)ethanol Solutions with Carbon Dioxide. Importance of Strong NH+···O Hydrogen Bonding
1998
Implications of Intramolecular OH···Se Hydrogen Bonding and CH···O Interaction in the Conformational Stabilization of 2-(Methylseleno)ethanol Studied by Vibrational Spectroscopy and Density Functional Theory
2001
Gas-phase infrared spectra of the unstable phosphaalkenes CF2:PH, CF2:PCF3, and CH2:PC: the C:P stretching vibration and force constant
1987
Molecular Understanding of the UCST-Type Phase Separation Behavior of a Stereocontrolled Poly(N-isopropylacrylamide) in Bis(2-methoxyethyl) Ether
2008
Relationship between the Broad OH Stretching Band of Methanol and Hydrogen-Bonding Patterns in the Liquid Phase
2008
Conformational stabilities of 1-methoxy-2-(methylthio)ethane and relevant intramolecular CH⋯O interaction studied by matrix-isolation infrared spectroscopy and density functional calculations
2002
Conformational Stabilization by Intramolecular OH···S and CH···O Interactions in 2-(Methylthio)ethanol. Matrix-Isolation Infrared Spectroscopy and ab Initio MO Calculations
1997
FTIR-ATR Studies of the Hydration of 15-Crown-5 and 18-Crown-6 in Aqueous Solutions
1999
Intramolecular CH⋯π and CH⋯O interactions in the conformational stability of benzyl methyl ether studied by matrix-isolation infrared spectroscopy and theoretical calculations
2006
On the Structure of Trans Ethyl Methyl Ether and the W Form of Diethyl Ether
1971
Vibrational spectra and molecular conformation of taurine and its related compounds
1992
Vibrational spectra and rotational isomerism of methyl methylsilyl sulphide
1980
Conformational Analysis of Nonionic Surfactants in Water by a Selective Monodeuteration Method. C−D Stretching Infrared Spectroscopy of α-Monodeuterododecyl-ω-hydroxytris(oxyethylene)s
1996
Far Infrared Spectra and Internal-Rotation Potential of Ethyl Methyl Ether
1972
Origin of the Blue Shift of the CH Stretching Band for 2-Butoxyethanol in Water
2006
The microwave spectra of deuterated silanes: SiH3D, SiH2D2, and SiHD3
1985
Computer Recording in Rapid Scan ESR Spectroscopy
1969
Infrared spectra of 1-phosphapropyne, CH3CP, and its perdeuteride, CD3CP
1985
Raman Spectroscopic Study on the Conformation of 1,2-Dimethoxyethane in the Liquid Phase and in Aqueous Solutions
2000
Vibrational spectra and rotational isomerism of 1,2-dimethyldisilane
1983
Vibrational spectra, normal vibrations and rotational isomerism of alkylsilanes
1979
Experimental Evidence for Intramolecular Blue-Shifting C−H···O Hydrogen Bonding by Matrix-Isolation Infrared Spectroscopy
2003 StandoutNobel
Reaction of Aqueous 2-(N-Methylamino)ethanol Solutions with Carbon Dioxide. Chemical Species and Their Conformations Studied by Vibrational Spectroscopy and ab Initio Theories
1999