4.7 Article

The furan microsolvation blind challenge for quantum chemical methods: First steps

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Tipping the Scales: Spectroscopic Tools for Intermolecular Energy Balances

Anja Poblotzki et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Chemistry, Physical

Correcting the record: the dimers and trimers of trans-N-methylacetamide

Thomas Forsting et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Article Chemistry, Multidisciplinary

Interactions between Ketones and Alcohols: Rotational Spectrum and Internal Dynamics of the Acetone-Ethanol Complex

Qian Gou et al.

CHEMISTRY-A EUROPEAN JOURNAL (2017)

Article Chemistry, Multidisciplinary

Control over the Hydrogen-Bond Docking Site in Anisole by Ring Methylation

Hannes C. Gottschalk et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

Article Chemistry, Physical

Subtle solvation behaviour of a biofuel additive: the methanol complex with 2,5-dimethylfuran

Anja Poblotzki et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

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

To π or not to π - how does methanol dock onto anisole?

Matthias Heger et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Chemistry, Multidisciplinary

Soft hydrogen bonds to alkenes: the methanol-ethene prototype under experimental and theoretical scrutiny

Matthias Heger et al.

CHEMICAL SCIENCE (2015)

Article Chemistry, Physical

Microsolvation of 2-Thiouracil: Molecular Structure and Spectroscopic Parameters of the Thiouracil-Water Complex

Cristina Puzzarini et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2015)

Article Chemistry, Physical

Alcohol dimers - how much diagonal OH anharmonicity?

Franz Kollipost et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Review Chemistry, Multidisciplinary

Symmetry-adapted perturbation theory based on density functional theory for noncovalent interactions

Georg Jansen

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (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 Chemistry, Physical

An efficient and near linear scaling pair natural orbital based local coupled cluster method

Christoph Riplinger et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Femtisecond single-mole infrared spectroscopy of molecular clusters

M. A. Suhm et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Competition between H•••π and H•••O Interactions in Furan Heterodimers

Elsa Sanchez-Garcia et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2012)

Review Chemistry, Multidisciplinary

Symmetry-adapted perturbation theory of intermolecular forces

Krzysztof Szalewicz

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

Communication: Where does the first water molecule go in imidazole?

Julia Zischang et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Ultrafast photodynamics of furan

Takao Fuji et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Simplified CCSD(T)-F12 methods: Theory and benchmarks

Gerald Knizia et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

High resolution IR spectroscopy of acetylene-furan in ultracold helium nanodroplets

Anja Metzelthin et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states

Arnim Hellweg et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Hydrogen-bonded OH stretching modes of methanol clusters: A combined IR and Raman isotopomer study

R. Wugt Larsen et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Tuning the hydrogen bond donor/acceptor isomerism in jet-cooled mixed dimers of aliphatic alcohols

C Emmeluth et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Letter Medicine, General & Internal

Truth, probability, and frameworks - Author's reply

JPA Ioannidis

PLOS MEDICINE (2005)

Article Chemistry, Physical

The vibrational spectrum of pyrrole (C4H5N) and furan (C4H4O) in the gas phase

A Mellouki et al.

CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

A complete basis set model chemistry. VII. Use of the minimum population localization method

JA Montgomery et al.

JOURNAL OF CHEMICAL PHYSICS (2000)