D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 40 Citations 6,040 256 World Ranking 13206 National Ranking 536

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Catalysis

His primary areas of investigation include Proton, Atomic physics, Hydrogen bond, Excited state and Physical chemistry. The concepts of his Proton study are interwoven with issues in Molecular physics, Zero-point energy and Photoexcitation. His study in the field of Potential energy also crosses realms of State.

His work deals with themes such as Crystallography, Photochemistry and Hydrogen atom abstraction, which intersect with Hydrogen bond. His research in Excited state intersects with topics in Quantum dynamics, Ab initio, Tautomer and Ground state. His research investigates the connection with Physical chemistry and areas like Reaction rate constant which intersect with concerns in Thermodynamics, Quantum tunnelling, Potential energy surface, Active site and Kinetic energy.

His most cited work include:

  • Elongated dihydrogen complexes: what remains of the H–H Bond? (126 citations)
  • Theoretical Study of the Low-Barrier Hydrogen Bond in the Hydrogen Maleate Anion in the Gas Phase. Comparison with Normal Hydrogen Bonds (110 citations)
  • The use of quantum mechanics calculations for the study of corrosion inhibitors (105 citations)

What are the main themes of his work throughout his whole career to date?

José M. Lluch spends much of his time researching Computational chemistry, Photochemistry, Stereochemistry, Proton and Excited state. His Computational chemistry study also includes fields such as

  • Ab initio together with Ab initio quantum chemistry methods and Electronic structure,
  • Thermodynamics, which have a strong connection to Reaction rate constant,
  • Molecule together with Crystallography. His Photochemistry research focuses on subjects like Intramolecular force, which are linked to Medicinal chemistry and Electron transfer.

José M. Lluch interconnects Molecular dynamics, Active site, Catalysis, QM/MM and Molecular mechanics in the investigation of issues within Stereochemistry. His studies deal with areas such as Chemical physics, Molecular physics, Hydrogenoxalate and Tautomer as well as Proton. His Excited state research is classified as research in Atomic physics.

He most often published in these fields:

  • Computational chemistry (26.90%)
  • Photochemistry (18.97%)
  • Stereochemistry (17.93%)

What were the highlights of his more recent work (between 2012-2021)?

  • Stereochemistry (17.93%)
  • Catalysis (9.66%)
  • QM/MM (8.28%)

In recent papers he was focusing on the following fields of study:

The scientist’s investigation covers issues in Stereochemistry, Catalysis, QM/MM, Enzyme and Molecular mechanics. The study incorporates disciplines such as Glycosidic bond, Active site, Lipoxygenase, Glycosyltransferase and Stereospecificity in addition to Stereochemistry. His Catalysis research integrates issues from Substrate and Divalent.

His biological study spans a wide range of topics, including Hydrogen atom abstraction, Steric effects and Arachidonic acid. José M. Lluch has researched Absorption spectroscopy in several fields, including Molecule, Photochemistry, Absorption and Fluorescence. José M. Lluch combines subjects such as Chemical physics, Proton and Kinetic isotope effect with his study of Chromophore.

Between 2012 and 2021, his most popular works were:

  • Are there really low-barrier hydrogen bonds in proteins? The case of photoactive yellow protein. (42 citations)
  • Substrate-Assisted and Nucleophilically Assisted Catalysis in Bovine α1,3-Galactosyltransferase. Mechanistic Implications for Retaining Glycosyltransferases (29 citations)
  • Evolutionary alteration of ALOX15 specificity optimizes the biosynthesis of antiinflammatory and proresolving lipoxins (28 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Organic chemistry
  • Catalysis

His scientific interests lie mostly in Catalysis, Stereochemistry, Molecular mechanics, Enzyme and Lipoxygenase. His Catalysis research includes themes of Hydrogen, Hydrogen atom abstraction, Glycosyltransferase and Substrate. His studies deal with areas such as Carboxylate, Acceptor and Molecule as well as Hydrogen.

The study incorporates disciplines such as Uridine diphosphate, Glycosylation, Transferase and Leaving group in addition to Stereochemistry. The various areas that José M. Lluch examines in his Molecular mechanics study include Planarity testing and Potential energy. His study in Monomer intersects with areas of studies such as Excited state and Photochemistry.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Theoretical Study of the Low-Barrier Hydrogen Bond in the Hydrogen Maleate Anion in the Gas Phase. Comparison with Normal Hydrogen Bonds

Mireia Garcia-Viloca;and Angels González-Lafont;José M. Lluch.
Journal of the American Chemical Society (1997)

209 Citations

Elongated dihydrogen complexes: what remains of the H–H Bond?

D. Michael Heinekey;Agustí Lledós;José M. Lluch.
Chemical Society Reviews (2004)

179 Citations

The use of quantum mechanics calculations for the study of corrosion inhibitors

J.M. Costa;J.M. Lluch.
Corrosion Science (1984)

159 Citations

Tunneling in green tea: understanding the antioxidant activity of catechol-containing compounds. A variational transition-state theory study.

Ismael Tejero;Núria Gonzalez-García;Angels Gonzalez-Lafont;José M Lluch.
Journal of the American Chemical Society (2007)

115 Citations

H-Atom Transfer and Rotational Processes in the Ground and First Singlet Excited Electronic States of 2-(2‘-Hydroxyphenyl)oxazole Derivatives: Experimental and Theoretical Studies†

Víctor Guallar;Miquel Moreno;José M. Lluch;§ and Francisco Amat-Guerri.
The Journal of Physical Chemistry (1996)

115 Citations

Bidimensional tunneling dynamics of malonaldehyde and hydrogenoxalate anion. A comparative study

Enric Bosch;Miquel Moreno;José M. Lluch;Juan Bertrán.
Journal of Chemical Physics (1990)

114 Citations

DNA Mutations Induced by Proton and Charge Transfer in the Low-Lying Excited Singlet Electronic States of the DNA Base Pairs: A Theoretical Insight

Víctor Guallar;Abderrazzak Douhal;Miquel Moreno, ,† and;José M. Lluch.
Journal of Physical Chemistry A (1999)

109 Citations

Retaining glycosyltransferase mechanism studied by QM/MM methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition state

Hansel Gómez;Iakov Polyak;Walter Thiel;José M. Lluch.
Journal of the American Chemical Society (2012)

108 Citations

Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations.

Oriol Vendrell;Ricard Gelabert;Miquel Moreno;José M. Lluch.
Journal of the American Chemical Society (2006)

107 Citations

Theoretical study of molecular dynamics in model base pairs

Abderrazzak Douhal;Victor Guallar;Miquel Moreno;Jose Maria Lluch.
Chemical Physics Letters (1996)

103 Citations

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