Related references
Note: Only part of the references are listed.Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations
Eric J. Berquist et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
A Universal Spectroscopic Map for the OH Stretching Mode in Alcohols
Oluwaseun O. Mesele et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Predominance of short range Coulomb forces in phosphate-water interactions-a theoretical analysis
Benjamin P. Fingerhut et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Couplings Across the Vibrational Spectrum Caused by Strong Hydrogen Bonds: A Continuum 2D IR Study of the 7-Azaindole-Acetic Acid Heterodimer
Ashley M. Stingel et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Vibrational solvatochromism. III. Rigorous treatment of the dispersion interaction contribution
Bartosz Blasiak et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Origin of the Hadzi ABC structure: An ab initio study
Brian L. Van Hoozen et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Origin of the 900 cm(-1) broad double-hump OH vibrational feature of strongly hydrogen-bonded carboxylic acids
Brian L. Van Hoozen et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Microhydration of Contact Ion Pairs in M2+OH-(H2O)n=1-5 (M = Mg, Ca) Clusters: Spectral Manifestations of a Mobile Proton Defect in the First Hydration Shell
Christopher J. Johnson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Explaining the Structure of the OH Stretching Band in the IR Spectra of Strongly Hydrogen-Bonded Dimers of Phosphinic Acid and Their Deuterated Analogs in the Gas Phase: A Computational Study
Najeh Rekik et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Unraveling the structure of hydrogen bond stretching mode infrared absorption bands: An anharmonic density functional theory study on 7-azaindole dimers
Jens Dreyer
JOURNAL OF CHEMICAL PHYSICS (2007)
A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy
TL Jansen et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Pronounced non-Condon effects in the ultrafast infrared spectroscopy of water
JR Schmidt et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Infrared and Raman line shapes of dilute HOD in liquid H2O and D2O from 10 to 90 °C
SA Corcelli et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Hydrogen-bonded acetic acid dimers: Anharmonic coupling and linear infrared spectra studied with density-functional theory
J Dreyer
JOURNAL OF CHEMICAL PHYSICS (2005)
Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map
T Hayashi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute HOD in liquid H2O and D2O
SA Corcelli et al.
JOURNAL OF CHEMICAL PHYSICS (2004)