Related references
Note: Only part of the references are listed.Quantum Mechanical Simulations of the Radical-Radical Chemistry on Icy Surfaces
Joan Enrique-Romero et al.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES (2022)
2021 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules
Brett A. McGuire
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES (2022)
Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H2O Ices. A Computational Chemistry Study
Jessica Perrero et al.
ACS EARTH AND SPACE CHEMISTRY (2022)
From gaseous HCN to nucleobases at the cosmic silicate dust surface: an experimental insight into the onset of prebiotic chemistry in space
Rosangela Santalucia et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains
Joan Enrique-Romero et al.
ASTRONOMY & ASTROPHYSICS (2021)
Computational Surface Modelling of Ices and Minerals of Interstellar Interest-Insights and Perspectives
Albert Rimola et al.
MINERALS (2021)
A non-energetic mechanism for glycine formation in the interstellar medium
S. Ioppolo et al.
NATURE ASTRONOMY (2021)
Exploring paths of chemical transformations in molecular and periodic systems: An approach utilizing force
Satoshi Maeda et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2021)
Study of Fischer-Tropsch-type reactions on chondritic meteorites
V. Cabedo et al.
ASTRONOMY & ASTROPHYSICS (2021)
Physics and chemistry on the surface of cosmic dust grains: a laboratory view
Alexey Potapov et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2021)
Layered Double Hydroxides in Bioinspired Nanotechnology
Giuseppe Arrabito et al.
CRYSTALS (2020)
Canonical, deprotonated, or zwitterionic? II. A computational study on amino acid interaction with the TiO2(110) rutile surface: comparison with the anatase (101) surface
S. Pantaleone et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Condensation of Atomic Carbon: Possible Routes toward Glycine
Serge A. Krasnokutski et al.
ASTROPHYSICAL JOURNAL (2020)
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Christoph Bannwarth et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Accretion of Water in Carbonaceous Chondrites: Current Evidence and Implications for the Delivery of Water to Early Earth
Josep M. Trigo-Rodriguez et al.
SPACE SCIENCE REVIEWS (2019)
Experimental characterization of the energetics of low-temperature surface reactions
Thomas K. Henning et al.
NATURE ASTRONOMY (2019)
Formation of Protonated Glycine Isomers in the Interstellar Medium
Miguel Sanz-Novo et al.
ACS EARTH AND SPACE CHEMISTRY (2019)
Quantum Mechanical Investigations on the Formation of Complex Organic Molecules on Interstellar Ice Mantles. Review and Perspectives
Lorenzo Zamirri et al.
ACS EARTH AND SPACE CHEMISTRY (2019)
Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study
Joan Enrique-Romero et al.
ACS EARTH AND SPACE CHEMISTRY (2019)
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers
Frank Neese et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Silicate-mediated interstellar water formation: a theoretical study
German Molpeceres et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2019)
Prebiotic Peptide Bond Formation Through Amino Acid Phosphorylation. Insights from Quantum Chemical Simulations
Berta Martinez-Bachs et al.
LIFE-BASEL (2019)
Role of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical Studies
Albert Rimola et al.
LIFE-BASEL (2019)
Where does galactic dust come from?
M. Ginolfi et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2018)
Laboratory simulations of the Vis-NIR spectra of comet 67P using sub-mu m sized cosmochemical analogues
B. Rousseau et al.
ICARUS (2018)
Evolution of interstellar organic compounds under asteroidal hydrothermal conditions
V. Vinogradoff et al.
ICARUS (2018)
Gas Phase Synthesis of Protonated Glycine by Chemical Dynamics Simulations
Yannick Jeanvoine et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Quantum-Chemical Modeling of the First Steps of the Strecker Synthesis: From the Gas-Phase to Water Solvation
V. Riffet et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
The evolution of grain mantles and silicate dust growth at high redshift
Cecilia Ceccarelli et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2018)
How Does Silica Catalyze the Amide Bond Formation under Dry Conditions? Role of Specific Surface Silanol Pairs
Albert Rimola et al.
ACS CATALYSIS (2018)
Origins of building blocks of life: A review
Norio Kitadai et al.
GEOSCIENCE FRONTIERS (2018)
Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective
Albert Rimola et al.
ACS EARTH AND SPACE CHEMISTRY (2018)
When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 Simulations
Stefano Pantaleone et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
Reactions of Glycolonitrile with Ammonia and Water: A Free Energy Map
Kyra L. Thrush et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
First-principles study of the formation of glycine-producing radicals from common interstellar species
Akimasa Sato et al.
MOLECULAR ASTROPHYSICS (2018)
Paris vs. Murchison: Impact of hydrothermal alteration on organic matter in CM chondrites
V. Vinogradoff et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2017)
The synthesis of large interstellar molecules
Eric Herbst
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2017)
Extension of the D3 dispersion coefficient model
Eike Caldeweyher et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z=1-86)
Stefan Grimme et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Canonical, Deprotonated, or Zwitterionic? A Computational Study on Amino Acid Interaction with the TiO2 (101) Anatase Surface
Stefano Pantaleone et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
The composition of cometary ices
D. Bockelee-Morvan et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2017)
A DFT study of the adsorption of glycine in the interlayer space of montmorillonite
Elizabeth Escamilla-Roa et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Interaction of organic compounds with chondritic silicate surfaces. Atomistic insights from quantum chemical periodic simulations
Albert Rimola et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Grain Surface Models and Data for Astrochemistry
H. M. Cuppen et al.
SPACE SCIENCE REVIEWS (2017)
Chemistry in nanoconfined water
Daniel Munoz-Santiburcio et al.
CHEMICAL SCIENCE (2017)
The global dust modelling framework THEMIS
A. P. Jones et al.
ASTRONOMY & ASTROPHYSICS (2017)
Pathways to Meteoritic Glycine and Methylamine
Jose C. Aponte et al.
ACS EARTH AND SPACE CHEMISTRY (2017)
H2 formation on interstellar dust grains: The viewpoints of theory, experiments, models and observations
Valentine Wakelam et al.
MOLECULAR ASTROPHYSICS (2017)
Seeds Of Life In Space (SOLIS): The Organic Composition Diversity at 300-1000 au Scale in Solar-type Star-forming Regions
C. Ceccarelli et al.
ASTROPHYSICAL JOURNAL (2017)
Classical dynamics simulations of interstellar glycine formation via CH2 = NH + CO + H2O reaction
Yogeshwaran Krishnan et al.
JOURNAL OF CHEMICAL SCIENCES (2017)
A theoretical study of the formation of glycine via hydantoin intermediate in outer space environment
Megumi Kayanuma et al.
CHEMICAL PHYSICS LETTERS (2017)
Thermal Condensation of Glycine and Alanine on Metal Ferrite Surface: Primitive Peptide Bond Formation Scenario
Md. Asif Iqubal et al.
LIFE-BASEL (2017)
Complex Organic Molecules Formation in Space Through Gas Phase Reactions: A Theoretical Approach
Pilar Redondo et al.
ASTROPHYSICAL JOURNAL (2017)
Formation of glycine from HCN and H2O: A computational mechanistic study
Hyun Moo Lee et al.
CHEMICAL PHYSICS LETTERS (2017)
The primordial nucleus of comet 67P/Churyumov-Gerasimenko
B. J. R. Davidsson et al.
ASTRONOMY & ASTROPHYSICS (2016)
Complex organics in space from Solar System to distant galaxies
Sun Kwok
ASTRONOMY AND ASTROPHYSICS REVIEW (2016)
Dispersion-Corrected Mean-Field Electronic Structure Methods
Stefan Grimme et al.
CHEMICAL REVIEWS (2016)
Photochemistry and Astrochemistry: Photochemical Pathways to Interstellar Complex Organic Molecules
Karin I. Oberg
CHEMICAL REVIEWS (2016)
Amide and Peptide Bond Formation: Interplay between Strained Ring Defects and Silanol Groups at Amorphous Silica Surfaces
Albert Rimola et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2=NH, CO2 and H2
Zanele P. Nhlabatsi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Possible interstellar formation of glycine from the reaction of CH2=NH, CO and H2O: catalysis by extra water molecules through the hydrogen relay transport
Zanele P. Nhlabatsi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Ribose and related sugars from ultraviolet irradiation of interstellar ice analogs
Cornelia Meinert et al.
SCIENCE (2016)
Organization of Nucleotides in Different Environments and the Formation of Pre-Polymers
Sebastian Himbert et al.
SCIENTIFIC REPORTS (2016)
TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth
Svatopluk Civis et al.
SCIENTIFIC REPORTS (2016)
The primordial nucleus of comet 67P/Churyumov-Gerasimenko
B. J. R. Davidsson et al.
ASTRONOMY & ASTROPHYSICS (2016)
Prebiotic chemicals-amino acid and phosphorus-in the coma of comet 67P/Churyumov-Gerasimenko
Kathrin Altwegg et al.
SCIENCE ADVANCES (2016)
The key role of meteorites in the formation of relevant prebiotic molecules in a formamide/water environment
Luca Rotelli et al.
SCIENTIFIC REPORTS (2016)
ULTRA-LOW-TEMPERATURE REACTIONS OF CARBON ATOMS WITH HYDROGEN MOLECULES
S. A. Krasnokutski et al.
ASTROPHYSICAL JOURNAL LETTERS (2016)
MINERALOGY OF PRESOLAR SILICATE AND OXIDE GRAINS OF DIVERSE STELLAR ORIGINS
Ann N. Nguyen et al.
ASTROPHYSICAL JOURNAL (2016)
COMET 67P/CHURYUMOV-GERASIMENKO: CLOSE-UP ON DUST PARTICLE FRAGMENTS
M. Hilchenbach et al.
ASTROPHYSICAL JOURNAL LETTERS (2016)
Observations of the Icy Universe
A. C. Adwin Boogert et al.
ANNUAL REVIEW OF ASTRONOMY AND ASTROPHYSICS, VOL 53 (2015)
Is the reaction between formic acid and protonated aminomethanol a possible source of glycine precursors in the interstellar medium?
Pilar Redondo et al.
ASTRONOMY & ASTROPHYSICS (2015)
The ONIOM Method and Its Applications
Lung Wa Chung et al.
CHEMICAL REVIEWS (2015)
Atom addition reactions in interstellar ice analogues
H. Linnartz et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2015)
Relevance of silicate surface morphology in interstellar H2 formation. Insights from quantum chemical calculations
Javier Navarro-Ruiz et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2015)
An automated transition state search using classical trajectories initialized at multiple minima
Emilio Martinez-Nunez
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
CHO-bearing organic compounds at the surface of 67P/Churyumov-Gerasimenko revealed by Ptolemy
I. P. Wright et al.
SCIENCE (2015)
Strained ring motif at silica surfaces: A quantum mechanical study of their reactivity towards protic molecules
Albert Rimola et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2015)
Is the reaction between formic acid and protonated aminomethanol a possible source of glycine precursors in the interstellar medium?
Pilar Redondo et al.
ASTRONOMY & ASTROPHYSICS (2015)
An Automated Method to Find Transition States Using Chemical Dynamics Simulations
Emilio Martinez-Nunez
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
The Formation and Self- Assembly of Long Prebiotic Oligomers Produced by the Condensation of Unactivated Amino Acids on Oxide Surfaces**
Gianmario Martra et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway
Shivani et al.
ASTRONOMY & ASTROPHYSICS (2014)
Combined quantum chemical and modeling study of CO hydrogenation on water ice
Albert Rimola et al.
ASTRONOMY & ASTROPHYSICS (2014)
ENANTIOMERIC EXCESSES INDUCED IN AMINO ACIDS BY ULTRAVIOLET CIRCULARLY POLARIZED LIGHT IRRADIATION OF EXTRATERRESTRIAL ICE ANALOGS: A POSSIBLE SOURCE OF ASYMMETRY FOR PREBIOTIC CHEMISTRY
Paola Modica et al.
ASTROPHYSICAL JOURNAL (2014)
Astrochemistry of dust, ice and gas: introduction and overview
Ewine F. van Dishoeck
FARADAY DISCUSSIONS (2014)
Evolution of organic matter in Orgueil, Murchison and Renazzo during parent body aqueous alteration: In situ investigations
Corentin Le Guillou et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2014)
Effect of Amorphous Ammonia-Water Ice onto Adsorption of Glycine on Cometary Dust Grain and IR Spectroscopy
Elizabeth Escamilla-Roa et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Three milieux for interstellar chemistry: gas, dust, and ice
Eric Herbst
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Direct Synthesis of Amides from Carboxylic Acids and Amines by Using Heterogeneous Catalysts: Evidence of Surface Carboxylates as Activated Electrophilic Species
Chiara Deiana et al.
CHEMCATCHEM (2013)
Interstellar Water Chemistry: From Laboratory to Observations
Ewine F. van Dishoeck et al.
CHEMICAL REVIEWS (2013)
Surface Processes on Interstellar Amorphous Solid Water: Adsorption, Diffusion, Tunneling Reactions, and Nuclear-Spin Conversion
Tetsuya Hama et al.
CHEMICAL REVIEWS (2013)
H2 Formation on Interstellar Grains
Gianfranco Vidali
CHEMICAL REVIEWS (2013)
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments
Albert Rimola et al.
CHEMICAL REVIEWS (2013)
Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
Pan Hao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy
Raghunath O. Ramabhadran et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Corrected small basis set Hartree-Fock method for large systems
Rebecca Sure et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
James J. P. Stewart
JOURNAL OF MOLECULAR MODELING (2013)
The nanoscale mineralogy of Fe,Ni sulfides in pristine and metamorphosed CM and CM/CI-like chondrites: Tapping a petrogenetic record
Dennis Harries et al.
METEORITICS & PLANETARY SCIENCE (2013)
Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods
Satoshi Maeda et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
A comparative study of the catalysis of peptide bond formation by oxide surfaces
Jean-Francois Lambert et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Adsorption of glycine on cometary dust grains: II-Effect of amorphous water ice
E. Escamilla-Roa et al.
PLANETARY AND SPACE SCIENCE (2013)
Stardust silicate nucleation kick-started by SiO + TiO2
T. P. M. Goumans et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2013)
Quantum chemical analysis for the formation of glycine in the interstellar medium
Amresh Singh et al.
RESEARCH IN ASTRONOMY AND ASTROPHYSICS (2013)
The molecular universe
A. G. G. M. Tielens
REVIEWS OF MODERN PHYSICS (2013)
Nanoconfinement effects on hydrated excess protons in layered materials
Daniel Munoz-Santiburcio et al.
NATURE COMMUNICATIONS (2013)
Influence of TiO2 on prebiotic thermal synthesis of the Gly-Gln polymer
P. Leyton et al.
AMINO ACIDS (2012)
Our astrochemical heritage
Paola Caselli et al.
ASTRONOMY AND ASTROPHYSICS REVIEW (2012)
GAS-PHASE SYNTHESIS OF PRECURSORS OF INTERSTELLAR GLYCINE: A COMPUTATIONAL STUDY OF THE REACTIONS OF ACETIC ACID WITH HYDROXYLAMINE AND ITS IONIZED AND PROTONATED DERIVATIVES
Carmen Barrientos et al.
ASTROPHYSICAL JOURNAL (2012)
COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES
Albert Rimola et al.
ASTROPHYSICAL JOURNAL (2012)
Chemical evolution from simple inorganic compounds to chiral peptides
Thomas A. E. Jakschitz et al.
CHEMICAL SOCIETY REVIEWS (2012)
Water confined between sheets of mackinawite FeS minerals
Carsten Wittekindt et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Adsorption of glycine by cometary dust: Astrobiological implications
E. Escamilla-Roa et al.
PLANETARY AND SPACE SCIENCE (2012)
New advances in metadynamics
Ludovico Sutto et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
N-(2-Aminoethyl)glycine and Amino Acids from Interstellar Ice Analogues
Cornelia Meinert et al.
CHEMPLUSCHEM (2012)
The Chemical Composition of Comets—Emerging Taxonomies and Natal Heritage
Michael J. Mumma et al.
Annual Review of Astronomy and Astrophysics (2011)
Formation Routes of Interstellar Glycine Involving Carboxylic Acids: Possible Favoritism Between Gas and Solid Phase
Sergio Pilling et al.
ASTROBIOLOGY (2011)
Organic Chemistry of Carbonaceous Meteorites
Zita Martins
ELEMENTS (2011)
On the origins of GEMS grains
Lindsay P. Keller et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2011)
Water formation by surface O3 hydrogenation
C. Romanzin et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Peptide Synthesis in Aqueous Environments: The Role of Extreme Conditions and Pyrite Mineral Surfaces on Formation and Hydrolysis of Peptides
Eduard Schreiner et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
A computational study on the structures of methylamine-carbon dioxide-water clusters: evidence for the barrier free formation of the methylcarbamic acid zwitterion (CH3NH2+COO-) in interstellar water ices
Hakan Kayi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Experimental studies of surface reactions among OH radicals that yield H2O and CO2 at 40-60 K
Yasuhiro Oba et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100)
Ivan Carnimeo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Density functional theory with London dispersion corrections
Stefan Grimme
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Metadynamics
Alessandro Barducci et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Cosmic Silicates
Thomas Henning
ANNUAL REVIEW OF ASTRONOMY AND ASTROPHYSICS, VOL 48 (2010)
The reaction between NH3+ and CH3COOH: a possible process for the formation of glycine precursors in the interstellar medium
L. Largo et al.
ASTRONOMY & ASTROPHYSICS (2010)
Experimental evidence for water formation on interstellar dust grains by hydrogen and oxygen atoms
F. Dulieu et al.
ASTRONOMY & ASTROPHYSICS (2010)
Adsorption of Proline and Glycine on the TiO2(110) Surface: A Density Functional Theory Study
Ralf Tonner
CHEMPHYSCHEM (2010)
Frontiers in electronic structure theory
C. David Sherrill
JOURNAL OF CHEMICAL PHYSICS (2010)
Communications: A systematic method for locating transition structures of A plus B→X type reactions
Satoshi Maeda et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Adsorption of glycine on the anatase (101) surface: an ab initio study
Denes Szieberth et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Deep-space glycine formation via Strecker-type reactions activated by ice water dust mantles. A computational approach
Albert Rimola et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Formation versus Hydrolysis of the Peptide Bond from a Quantum-mechanical Viewpoint: The Role of Mineral Surfaces and Implications for the Origin of Life
Albert Rimola et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)
Cometary glycine detected in samples returned by Stardust
Jamie E. Elsila et al.
METEORITICS & PLANETARY SCIENCE (2009)
The role of defective silica surfaces in exogenous delivery of prebiotic compounds: clues from first principles calculations
Albert Rimola et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
LABORATORY EVIDENCE FOR EFFICIENT WATER FORMATION IN INTERSTELLAR ICES
S. Ioppolo et al.
ASTROPHYSICAL JOURNAL (2008)
Aluminum-, calcium- and titanium-rich oxide stardust in ordinary chondrite meteorites
Larry R. Nittler et al.
ASTROPHYSICAL JOURNAL (2008)
Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(100)-2 x 1 surface
Dorit Shemesh et al.
CHEMICAL PHYSICS (2008)
Gas-Phase Reaction of NH2+ with Acetic Acid: Implications in Astrochemistry
Laura Largo et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Influence of extreme thermodynamic conditions and pyrite surfaces on peptide synthesis in aqueous media
Eduard Schreiner et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Peptide Synthesis in Aqueous Environments: The Role of Extreme Conditions on Amino Acid Activation
Nisanth N. Nair et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Hydrothermal vents and the origin of life
William Martin et al.
NATURE REVIEWS MICROBIOLOGY (2008)
A detailed study of the amino acids produced from the vacuum UV irradiation of interstellar ice analogs
Michel Nuevo et al.
ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES (2008)
Adsorption and polymerization of amino acids on mineral surfaces: A review
Jean-Francois Lambert
ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES (2008)
Molecular asymmetry in extraterrestrial chemistry: Insights from a pristine meteorite
Sandra Pizzarello et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Ice surface reactions: A key to chemical evolution in space
Naoki Watanabe et al.
PROGRESS IN SURFACE SCIENCE (2008)
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
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
James J. P. Stewart
JOURNAL OF MOLECULAR MODELING (2007)
Aluminosilicate surfaces as promoters for peptide bond formation: An assessment of Bernal's hypothesis by ab initio methods
Albert Rimola et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Is the peptide bond formation activated by Cu2+ interactions?: Insights from density functional calculations
A. Rimola et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Report - Mineralogy and petrology of comet 81P/Wild 2 nucleus samples
Michael E. Zolensky et al.
SCIENCE (2006)
Organics captured from comet 81P/Wild 2 by the Stardust spacecraft
Scott A. Sandford et al.
SCIENCE (2006)
Comet 81P/Wild 2 under a microscope
Don Brownlee et al.
SCIENCE (2006)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Yan Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
α-hydroxy and α-amino acids under possible hadean, volcanic origin-of-life conditions
Claudia Huber et al.
SCIENCE (2006)
Glycine at the pyrite-water interface: The role of surface defects
Nisanth N. Nair et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Ab initio simulations of desorption and reactivity of glycine at a water-pyrite interface at iron-sulfur world prebiotic conditions
Rodolphe Pollet et al.
ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES (2006)
The chemistry of life's origin: A carbonaceous meteorite perspective
S Pizzarello
ACCOUNTS OF CHEMICAL RESEARCH (2006)
IR and quantum-chemical studies of carboxylic acid and glycine adsorption on rutile TiO2 nanoparticles
L Ojamäe et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2006)
Generation mechanisms of amino acids in interstellar space via reactions between closed-shell species: Significance of higher energy isomers in molecular evolution
S Maeda et al.
ASTROPHYSICAL JOURNAL (2006)
Photocatalysis and the origin of life:: Synthesis of nucleoside bases from formamide on TiO2(001) single surfaces
SD Senanayake et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Ab initio molecular dynamics:: Concepts, recent developments, and future trends
R Iftimie et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
A rigorous attempt to verify interstellar glycine
LE Snyder et al.
ASTROPHYSICAL JOURNAL (2005)
Properties of synthetic ferrihydrite as an amino acid adsorbent and a promoter of peptide bond formation
G Matrajt et al.
AMINO ACIDS (2004)
Accurate description of van der Waals complexes by density functional theory including empirical corrections
S Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Theoretical study of possible ion-molecule reactions leading to precursors of glycine in the interstellar medium
A Largo et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2004)
Peptide bond formation on the surface of activated alumina:: peptide chain elongation
J Bujdák et al.
CATALYSIS LETTERS (2003)
Glycine on a wet pyrite surface at extreme conditions
C Boehme et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
A possible primordial peptide cycle
C Huber et al.
SCIENCE (2003)
One-pot TiO2-catalyzed synthesis of nucleic bases and acyclonucleosides from formamide:: Implications for the origin of life
R Saladino et al.
CHEMBIOCHEM (2003)
Alumina catalyzed reactions of amino acids
J Bujdak et al.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2003)
Presolar spinel grains from the Murray and Murchison carbonaceous chondrites
E Zinner et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2003)
Helium dimer dispersion forces and correlation potentials in density functional theory
MJ Allen et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Pathways to glycine and other amino acids in ultraviolet-irradiated astrophysical ices determined via quantum chemical modeling
DE Woon
ASTROPHYSICAL JOURNAL (2002)
Efficient formation of formaldehyde and methanol by the addition of hydrogen atoms to CO in H2O-CO ice at 10 K
N Watanabe et al.
ASTROPHYSICAL JOURNAL (2002)
Preferential amino acid sequences in alumina-catalyzed peptide bond formation
J Bujdák et al.
JOURNAL OF INORGANIC BIOCHEMISTRY (2002)
Identification of iron sulphide grains in protoplanetary disks
LP Keller et al.
NATURE (2002)
Racemic amino acids from the ultraviolet photolysis of interstellar ice analogues
MP Bernstein et al.
NATURE (2002)
Amino acids from ultraviolet irradiation of interstellar ice analogues
GMM Caro et al.
NATURE (2002)
Formation of amino acid precursors in the interstellar medium. A DFT study of some gas-phase reactions starting with methylenimine
VA Basiuk
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Activated alumina as an energy source for peptide bond formation: Consequences for mineral-mediated prebiotic processes
J Bujdak et al.
AMINO ACIDS (2001)
Primordial carbonylated iron-sulfur compounds and the synthesis of pyruvate
GD Cody et al.
SCIENCE (2000)
A complete basis set model chemistry. VII. Use of the minimum population localization method
JA Montgomery et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Share Paper
