4.7 Article

The effect of alkylation on the micro-solvation of ethers revealed by highly localized water librational motion

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Software update: the ORCA program system, version 4.0

Frank Neese

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)

Article Chemistry, Physical

Hydrogen bond breaking dynamics in the water pentamer: Terahertz VRT spectroscopy of a 20 μm libration

William T. S. Cole et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Structural Distortions Accompanying Noncovalent Interactions: Methane-Water, the Simplest C-H Hydrogen Bond

Herzain I. Rivera-Arrieta et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)

Article Chemistry, Physical

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework

Wolfgang B. Schneider et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Chemistry, Physical

The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices

M. Heger et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Multidisciplinary

Controlling the Subtle Energy Balance in Protic Ionic Liquids: Dispersion Forces Compete with Hydrogen Bonds

Koichi Fumino et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Article Chemistry, Physical

Far-infrared VRT spectroscopy of the water dimer: Characterization of the 20 μm out-of-plane librational vibration

William T. S. Cole et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

Dimitrios G. Liakos et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Chemistry, Physical

Vibrational analysis of neat liquid tert-butylmethylether

K. B. Bec et al.

JOURNAL OF MOLECULAR LIQUIDS (2014)

Article Chemistry, Physical

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

Christoph Riplinger et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Biochemistry & Molecular Biology

The Toxicological Assessment of Cyclopentyl Methyl Ether (CPME) as a Green Solvent

Kiyoshi Watanabe

MOLECULES (2013)

Article Chemistry, Physical

On the structure of the matrix isolated water trimer

J. Ceponkus et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Analytical

Vibrational spectra of liquid di-iso-propylether

K. B. Bec et al.

VIBRATIONAL SPECTROSCOPY (2011)

Article Chemistry, Physical

Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method

Simone Kossmann et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Multidisciplinary

Strong, Localized, and Directional Hydrogen Bonds Fluidize Ionic Liquids

Koichi Fumino et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)

Article Chemistry, Multidisciplinary

Hartree-Fock exchange fitting basis sets for H to Rn

Florian Weigend

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Article Chemistry, Physical

Accurate Coulomb-fitting basis sets for H to Rn

F Weigend

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Intermolecular vibrations of the water trimer, a matrix isolation study

J Ceponkus et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Multidisciplinary Sciences

Asymmetry in angular rigidity of hydrogen-bonded complexes

ZH Yu et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

Article Chemistry, Physical

Water dimer in solid neon. Far-infrared spectrum

J Ceponkus et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Article Chemistry, Physical

Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

F Weigend et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Multidisciplinary

Hydrogen bond breaking dynamics of the water trimer in the translational and librational band region of liquid water

FN Keutsch et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)

Article Chemistry, Physical

COSMO Implementation in TURBOMOLE: Extension of an efficient quantum chemical code towards liquid systems

A Schafer et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)