Search filters

List of works by Guillermo Pérez-Hernández

Anisotropy of the water-carbon interaction: molecular simulations of water in low-diameter carbon nanotubes.

scientific article published in April 2013

Biologically inspired molecular machines driven by light. Optimal control of a unidirectional rotor

Excited state dynamics of a model asymmetric molecular rotor: A five-dimensional study on 2-cyclopentylidene-tetrahydrofuran

article

Hierarchical Time-Lagged Independent Component Analysis: Computing Slow Modes and Reaction Coordinates for Large Molecular Systems

scientific article published on 28 October 2016

IR spectrum of FHF- and FDF- revisited using a spectral method in four dimensions.

scientific article published on 29 August 2012

Identification of slow molecular order parameters for Markov model construction

scientific article

Mechanistic insight into light-driven molecular rotors: a conformational search in chiral overcrowded alkenes by a pseudo-random approach

scientific article published on 16 August 2010

On the light-driven isomerization of a model asymmetric molecular rotor: conformations and conical intersections of 2-cyclopentylidene-tetrahydrofuran

scientific article published on September 2010

PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models.

scientific article published on 14 October 2015

Rydberg or valence? The long-standing question in the UV absorption spectrum of 1,1'-bicyclohexylidene

scientific article

Singlet oxygen generation versus O–O homolysis in phenyl-substituted anthracene endoperoxides investigated by RASPT2, CASPT2, CC2, and TD-DFT methods

The chromophore structure of the cyanobacterial phytochrome Cph1 as predicted by time-dependent density functional theory

scientific article

Variational Approach to Molecular Kinetics.

scientific article published on 6 March 2014

Paulina is supported by:

About Paulina

Help