Synthesis, microwave spectra, x-ray structure, and high-level theoretical calculations for formamidinium formate

IR Spectra of (HCOOH)2 and (DCOOH)2: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces

(2018) Chen Qu et al.   Journal of Physical Chemistry Letters

1JCH NMR Profile: Identification of Key Structural Features and Functionalities by Visual Observation and Direct Measurement of One-Bond Proton-Carbon Coupling Constants

(2017) Núria Marcó et al.   JOURNAL OF ORGANIC CHEMISTRY

Microwave spectra, molecular structure, and aromatic character of 4a,8a-azaboranaphthalene

(2016) Aaron M. Pejlovas et al.   JOURNAL OF CHEMICAL PHYSICS

Microwave measurements of the tropolone–formic acid doubly hydrogen bonded dimer

(2016) Aaron M. Pejlovas et al.   JOURNAL OF CHEMICAL PHYSICS

Rotational spectra and gas phase structure of the maleimide – Formic acid doubly hydrogen bonded dimer

(2016) Aaron M. Pejlovas et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Microwave spectra and structure of the cyclopropanecarboxylic acid-formic acid dimer

(2015) Aaron M. Pejlovas et al.   JOURNAL OF CHEMICAL PHYSICS

Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations

(2015) Arnim Hellweg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Microwave spectrum and molecular structure parameters for the 1,2-cyclohexanedione (monoenolic)–formic acid dimer

(2014) Aaron M. Pejlovas et al.   CHEMICAL PHYSICS LETTERS

3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence

(2013) Xue Ma et al.   JOURNAL OF SOLID STATE CHEMISTRY

Quantum Mechanical Studies for Structures and Energetic of Double Proton Transfer in Biologically Important Hydrogen-bonded Complexes

(2011) Ki-Soo Park et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Unraveling the spectroscopy of coupled intramolecular tunneling modes: A study of double proton transfer in the formic-acetic acid complex

(2011) Michael C. D. Tayler et al.   JOURNAL OF CHEMICAL PHYSICS

Microwave measurements of proton tunneling and structural parameters for the propiolic acid–formic acid dimer

(2011) Adam M. Daly et al.   JOURNAL OF CHEMICAL PHYSICS

Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

Microwave spectrum and structural parameters for the formamide-formic acid dimer

(2010) Adam M. Daly et al.   JOURNAL OF CHEMICAL PHYSICS

Communications: Evidence for proton tunneling from the microwave spectrum of the formic acid-propriolic acid dimer

(2010) Adam M. Daly et al.   JOURNAL OF CHEMICAL PHYSICS

Erratum: Communications: Evidence for proton tunneling from the microwave spectrum of the formic acid: Propriolic acid dimer [J. Chem. Phys. 132, 201101 (2010)]

(2010) Adam M. Daly et al.   JOURNAL OF CHEMICAL PHYSICS

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

High-Resolution Infrared Spectroscopy of the Formic Acid Dimer

(2008) Özgür Birer et al.   Annual Review of Physical Chemistry

High resolution IR spectroscopy of the carbonyl stretch of (DCOOD)2

(2007) A. Gutberlet et al.   CHEMICAL PHYSICS