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Adenosine Triphosphate Hydrolysis Mechanism in Kinesin Studied by Combined Quantum-Mechanical/Molecular-Mechanical Metadynamics Simulations ⬇️

artículo científico publicado el 10 de junio de 2013

Calculation of the Gibbs free energy of solvation and dissociation of HCl in water via Monte Carlo simulations and continuum solvation models

artículo científico publicado en 2013

Ensemble modelling, uncertainty and robust predictions of organic carbon in long-term bare-fallow soils

artículo científico publicado en 2020

Europe's forest management did not mitigate climate warming

artículo científico publicado en 2016

Excited state hydrogen bond dynamics: coumarin 102 in acetonitrile-water binary mixtures.

artículo científico publicado en 2008

First principles Monte Carlo simulations of aggregation in the vapor phase of hydrogen fluoride

artículo científico publicado en 2010

Global Carbon Budget 2022

artículo científico publicado en 2022

Intra- and intermolecular effects on the Compton profile of the ionic liquid 1,3-dimethylimidazolium chloride

artículo científico publicado en 2014

Isobaric-isothermal monte carlo simulations from first principles: application to liquid water at ambient conditions

artículo científico publicado en 2005

Land management and land-cover change have impacts of similar magnitude on surface temperature

article by Sebastiaan Luyssaert et al published 13 April 2014 in Nature Climate Change

Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional

artículo científico publicado en 2011

Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

artículo científico publicado en 2013

Re-examining the properties of the aqueous vapor-liquid interface using dispersion corrected density functional theory

artículo científico publicado en 2011

Representing anthropogenic gross land use change, wood harvest and forest age dynamics in a global vegetation model ORCHIDEE-MICT (r4259)

article

Representing anthropogenic gross land use change, wood harvest, and forest age dynamics in a global vegetation model ORCHIDEE-MICT v8.4.2

article published in 2018

Rethinking the application of the first nucleation theorem to particle formation

artículo científico publicado en 2012

Simulating fluid-phase equilibria of water from first principles

artículo científico publicado en 2006

Structural Rearrangements and Magic Numbers in Reactions between Pyridine-Containing Water Clusters and Ammonia

scientific article published on 11 May 2012

Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation study

artículo científico publicado en 2006

The consolidated European synthesis of CO<sub>2</sub> emissions and removals for the European Union and United Kingdom: 1990–2020

artículo científico publicado en 2023

The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution

scientific article published on 01 February 2004

Time-Dependent Properties of Liquid Water:  A Comparison of Car-Parrinello and Born-Oppenheimer Molecular Dynamics Simulations.

artículo científico publicado en 2006

Trade-offs in using European forests to meet climate objectives

artículo científico publicado en 2018

Vapor-liquid nucleation of argon: exploration of various intermolecular potentials.

artículo científico publicado en 2010

Vapor–Liquid Coexistence Curves for Methanol and Methane Using Dispersion-Corrected Density Functional Theory

scientific article published on 16 September 2011

Viscous water meniscus under nanoconfinement

artículo científico publicado en 2006

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