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Large barrier behavior of the rate constant from the diffusion equation

The Journal of chemical physics, 2023-04, Vol.158 (14), p.144110-144110

2023

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Partition of the Reactive Species of the Suzuki–Miyaura Reaction between Aqueous and Micellar Environments

The journal of physical chemistry. B, 2022-11, Vol.126 (45), p.9408-9416

2022

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Quantum Molecular Trajectory and Its Statistical Properties

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-07, Vol.121 (28), p.5352-5360

2017

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Quantum computing for classical problems: variational quantum eigensolver for activated processes

New journal of physics, 2021-12, Vol.23 (12), p.123045

2021

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Quantum Stochastic Trajectories: The Fokker–Planck–Bohm Equation Driven by the Reduced Density Matrix

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-03, Vol.122 (10), p.2751-2763

2018

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Quantum stochastic trajectories: the Smoluchowski-Bohm equation

Physical chemistry chemical physics : PCCP, 2017-12, Vol.2 (1), p.165-179

2017

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Quantum Statistical Ensemble Resilient to Thermalization

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.5071-5082

2016

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Thermal Pure States for Finite and Isolated Quantum Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-09, Vol.121 (38), p.7261-7272

2017

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Emergence of equilibrium thermodynamic properties in quantum pure states. I. Theory

The Journal of chemical physics, 2010-07, Vol.133 (3), p.034509-034509

2010

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Typicality in Ensembles of Quantum States: Monte Carlo Sampling versus Analytical Approximations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (52), p.14502-14513

2009

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Evaluation of docking procedures reliability in affitins-partners interactions

Frontiers in chemistry, 2022-12, Vol.10, p.1074249-1074249

2022

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Emergence of equilibrium thermodynamic properties in quantum pure states. II. Analysis of a spin model system

The Journal of chemical physics, 2010-07, Vol.133 (3), p.034510-034510-13

2010

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Dynamical Behavior and Conformational Selection Mechanism of the Intrinsically Disordered Sic1 Kinase-Inhibitor Domain

Life (Basel, Switzerland), 2020-07, Vol.10 (7), p.110

2020

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Beyond quantum microcanonical statistics

The Journal of chemical physics, 2011-02, Vol.134 (5), p.054510-054510-16

2011

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Typical response of quantum pure states

The European physical journal. B, Condensed matter physics, 2013-05, Vol.86 (5), Article 233

2013

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The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase

Frontiers in chemistry, 2019-01, Vol.6, p.630

2019

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Skeletal muscle hypertrophy and structure and function of skeletal muscle fibres in male body builders

The Journal of physiology, 2006-02, Vol.570 (3), p.611-627

2006

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Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase

Inorganics, 2019-11, Vol.7 (11), p.135

2019

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The tunneling splitting and the Kramers theory of activated processes

Chemical physics, 2022-09, Vol.561, p.111608, Article 111608

2022

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Molecular diffusion in liquid crystals and chiral discrimination. II. Model calculations

The Journal of chemical physics, 2006-09, Vol.125 (10), p.104903-104903-13

2006

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Conformational Characterization of Lanthanide(III)−DOTA Complexes by ab Initio Investigation in Vacuo and in Aqueous Solution

Journal of the American Chemical Society, 2002-05, Vol.124 (17), p.4901-4909

2002

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CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase - Analogies and Differences to the Native Enzyme

Chemphyschem, 2024-07, Vol.25 (13), p.e202400293

2024

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Cover Feature: CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme (ChemPhysChem 13/2024)

Chemphyschem, 2024-07, Vol.25 (13)

2024

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Local biaxiality in cholesteric liquid crystals from the surface interaction model

The Journal of chemical physics, 2008-03, Vol.128 (10), p.104513-104513

2008

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How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H-evolving Mo oxides/sulphides as case studies

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (48), p.29471-29479

2022

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Large barrier behavior of the rate constant from the diffusion equation

Partition of the Reactive Species of the Suzuki–Miyaura Reaction between Aqueous and Micellar Environments

Quantum Molecular Trajectory and Its Statistical Properties

Quantum computing for classical problems: variational quantum eigensolver for activated processes

Quantum Stochastic Trajectories: The Fokker–Planck–Bohm Equation Driven by the Reduced Density Matrix

Quantum stochastic trajectories: the Smoluchowski-Bohm equation

Quantum Statistical Ensemble Resilient to Thermalization

Thermal Pure States for Finite and Isolated Quantum Systems

Emergence of equilibrium thermodynamic properties in quantum pure states. I. Theory

Typicality in Ensembles of Quantum States: Monte Carlo Sampling versus Analytical Approximations

Evaluation of docking procedures reliability in affitins-partners interactions

Emergence of equilibrium thermodynamic properties in quantum pure states. II. Analysis of a spin model system

Dynamical Behavior and Conformational Selection Mechanism of the Intrinsically Disordered Sic1 Kinase-Inhibitor Domain

Beyond quantum microcanonical statistics

Typical response of quantum pure states

The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase

Skeletal muscle hypertrophy and structure and function of skeletal muscle fibres in male body builders

Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase

The tunneling splitting and the Kramers theory of activated processes

Molecular diffusion in liquid crystals and chiral discrimination. II. Model calculations

Conformational Characterization of Lanthanide(III)−DOTA Complexes by ab Initio Investigation in Vacuo and in Aqueous Solution

CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase - Analogies and Differences to the Native Enzyme

Cover Feature: CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme (ChemPhysChem 13/2024)

Local biaxiality in cholesteric liquid crystals from the surface interaction model

How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H-evolving Mo oxides/sulphides as case studies

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