A fitting program for structural determination of molecular clusters from rotational spectroscopy

Evolution of Solute–Water Interactions in the Benzaldehyde-(H2O)1–6 Clusters by Rotational Spectroscopy

(2023) Weixing Li et al.   Journal of the American Chemical Society

Exploring the Maze of Cycloserine Conformers in the Gas Phase Guided by Microwave Spectroscopy and Quantum Chemistry

(2021) Elena R. Alonso et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Carbon-13 studies of sulphur-terminated carbon chains: chemical bonding, molecular structures, and formation pathways

(2021) Michael C. McCarthy et al.   MOLECULAR PHYSICS

Using Monte Carlo to Simulate Complex Polymer Systems: Recent Progress and Outlook

(2021) Vlasis G. Mavrantzas   Frontiers in Physics

Exhaustive Product Analysis of Three Benzene Discharges by Microwave Spectroscopy

(2020) Michael C. McCarthy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions

(2019) Christoph Bannwarth et al.   Journal of Chemical Theory and Computation

Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy

(2019) Kin Long Kelvin Lee et al.   Journal of Physical Chemistry Letters

Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy

(2019) Kirill Prozument et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Sensing Chirality with Rotational Spectroscopy

(2018) Sérgio R. Domingos et al.   Annual Review of Physical Chemistry

Wet Sunscreens in the Gas Phase: Structures of Isolated and Microsolvated Oxybenzone

(2018) Sérgio R. Domingos et al.   Journal of Physical Chemistry Letters

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)

(2017) Stefan Grimme et al.   Journal of Chemical Theory and Computation

Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene

(2017) Amanda L. Steber et al.   Journal of Physical Chemistry Letters

Perspective: The first ten years of broadband chirped pulse Fourier transform microwave spectroscopy

(2016) G. Barratt Park et al.   JOURNAL OF CHEMICAL PHYSICS

ABCluster: the artificial bee colony algorithm for cluster global optimization

(2015) Jun Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular Dynamics, Monte Carlo Simulations, and Langevin Dynamics: A Computational Review

(2015) Eric Paquet et al.   Biomed Research International

Hydrogen Bond Cooperativity and the Three-Dimensional Structures of Water Nonamers and Decamers

(2014) Cristóbal Pérez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum Chemical Investigations on Molecular Clusters

(2014) Shridhar R. Gadre et al.   CHEMICAL REVIEWS

Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer

(2013) Cristóbal Pérez et al.   CHEMICAL PHYSICS LETTERS

Global optimization of clusters using electronic structure methods

(2013) Sven Heiles et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

High-dimensional integration: The quasi-Monte Carlo way

(2013) Josef Dick et al.   ACTA NUMERICA

Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy

(2012) C. Perez et al.   SCIENCE

A broadband Fourier transform microwave spectrometer based on chirped pulse excitation

(2008) Gordon G. Brown et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Measuring Picosecond Isomerization Kinetics via Broadband Microwave Spectroscopy

(2008) B. C. Dian et al.   SCIENCE