[图书][B] Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov Löwdin Volume III

EJ Brändas, ES Kryachko - 2013 - books.google.com
Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past
five decades, through his basic contributions to the development of the conceptual …

Investigation of proton affinities and gas phase vibrational spectra of protonated nucleosides, deoxynucleosides, and their analogs

HU Ung, KT Huynh, JC Poutsma, J Oomens… - International Journal of …, 2015 - Elsevier
DNA nucleobases make use of hydrogen bonding, whether in associating to form the
Watson–Crick double-helix or in producing alternative structures such as the G-quadruplex …

Steroisomeric distinction by the kinetic method: 2, 3‐butanediol

W Shen, PSH Wong, RG Cooks - Rapid communications in …, 1997 - Wiley Online Library
The kinetic method is used to differentiate the diastereomers and enantiomers of 2, 3-
butanediol. By using a number of reference compounds of known gas phase basicity (GB) …

Proton affinity of deuterated acetonitrile estimated by the kinetic method with full entropy analysis

TI Williams, JW Denault, RG Cooks - International Journal of Mass …, 2001 - Elsevier
Branching ratios for the dissociation of proton-bound dimers of selected alkyl
nitriles,[R1CN⋯ H+⋯ NCR2], have been measured as a function of collision energy, using a …

Gas-phase acid-base properties of melamine and cyanuric acid

S Mukherjee, J Ren - Journal of the American Society for Mass …, 2010 - Springer
The thermochemical properties of melamine and cyanuric acid were characterized using
mass spectrometry measurements along with computational studies. A triple-quadrupole …

Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations

GJ Cao, HG Xu, RZ Li, W Zheng - The Journal of chemical physics, 2012 - pubs.aip.org
The nucleobase-gold complexes were studied with anion photoelectron spectroscopy and
density functional calculations. The vertical detachment energies of uracil-Au−, thymine-Au …

Tautomerization in the formation and collision-induced dissociation of alkali metal cation-cytosine complexes

Z Yang, MT Rodgers - Physical Chemistry Chemical Physics, 2012 - pubs.rsc.org
Noncovalent interactions between alkali metal cations and the various low-energy
tautomeric forms of cytosine are investigated both experimentally and theoretically …

Assessment of the Accuracy of DFT-Predicted Li+–Nucleic Acid Binding Energies

BTA Boychuk, YE Rebecca Jeong… - Journal of Chemical …, 2021 - ACS Publications
Understanding how lithium interacts with complex biosystems is crucial for uncovering the
roles of this alkali metal in biology and designing extraction techniques for battery …

A SERS probe of adenyl residues available for intermolecular interactions. Part I—adenyl 'fingerprint'

L Grajcar, MH Baron - Journal of Raman Spectroscopy, 2001 - Wiley Online Library
This work validated a SERS probe able to compare adenyl reactivity in DNA and RNA. A
Creighton silver colloid including adenine (A)[or 2′‐deoxyadenosine 5′‐phosphate (pdA)] …

Absolute potassium cation affinities (PCAs) in the gas phase

JKC Lau, CHS Wong, PS Ng, FM Siu… - … A European Journal, 2003 - Wiley Online Library
The potassium cation affinities (PCAs) of 136 ligands (20 classes) in the gas phase were
established by hybrid density functional theory calculations (B3‐LYP with the 6‐311+ G (3df …