Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios

Reply to Bada and Cleaves: Ab initio free-energy landscape of Miller-like prebiotic reactions: Fig. 1.

(2015) Antonino Marco Saitta et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Meteorite-catalyzed syntheses of nucleosides and of other prebiotic compounds from formamide under proton irradiation

(2015) Raffaele Saladino et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Aldehydes and sugars from evolved precometary ice analogs: Importance of ices in astrochemical and prebiotic evolution

(2015) Pierre de Marcellus et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

THE HNC/HCN RATIO IN STAR-FORMING REGIONS

(2014) Dawn M. Graninger et al.   ASTROPHYSICAL JOURNAL

Intrinsic reaction coordinate: Calculation, bifurcation, and automated search

(2014) Satoshi Maeda et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Perspective: Bimolecular chemical reaction dynamics in liquids

(2014) Andrew J. Orr-Ewing   JOURNAL OF CHEMICAL PHYSICS

Fate of a Graphene Flake: A New Route toward Fullerenes Disclosed with Ab Initio Simulations

(2014) Fabio Pietrucci et al.   Journal of Chemical Theory and Computation

Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles Simulations

(2014) Changru Ma et al.   Journal of Physical Chemistry Letters

Miller experiments in atomistic computer simulations

(2014) A. M. Saitta et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High-energy chemistry of formamide: A unified mechanism of nucleobase formation

(2014) Martin Ferus et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

DETECTION OF FORMAMIDE, THE SIMPLEST BUT CRUCIAL AMIDE, IN A SOLAR-TYPE PROTOSTAR

(2013) C. Kahane et al.   Astrophysical Journal Letters

Theoretical Study of the Decomposition of Formamide in the Presence of Water Molecules

(2013) Vinh Son Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

From Formamide to Purine: An Energetically Viable Mechanistic Reaction Pathway

(2013) Jing Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Shock synthesis of amino acids from impacting cometary and icy planet surface analogues

(2013) Zita Martins et al.   Nature Geoscience

Genetics first or metabolism first? The formamide clue

(2012) Raffaele Saladino et al.   CHEMICAL SOCIETY REVIEWS

Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water Molecules

(2012) Grégoire A. Gallet et al.   Journal of Chemical Theory and Computation

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2

(2012) Ciro A. Guido et al.   Journal of Chemical Theory and Computation

Addressing Open Questions about Phosphate Hydrolysis Pathways by Careful Free Energy Mapping

(2012) B. Ram Prasad et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Formation Routes of Interstellar Glycine Involving Carboxylic Acids: Possible Favoritism Between Gas and Solid Phase

(2011) Sergio Pilling et al.   ASTROBIOLOGY

Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations

(2011) Davide Branduardi et al.   Journal of Chemical Theory and Computation

HNC/HCN Ratio in Acetonitrile, Formamide, and BrCN Discharge

(2011) Martin Ferus et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of Formamide Decomposition Pathways

(2011) Vinh Son Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Formamide and the origin of life

(2011) Raffaele Saladino et al.   Physics of Life Reviews

Guanine, Adenine, and Hypoxanthine Production in UV-Irradiated Formamide Solutions: Relaxation of the Requirements for Prebiotic Purine Nucleobase Formation

(2010) Hannah L. Barks  et al.   CHEMBIOCHEM

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Adsorption and Polymerization of Amino Acids on Mineral Surfaces: A Review

(2008) Jean-François Lambert   ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS