[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 …
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 …
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) …
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 …
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 …
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 …
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 …
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 …
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)] …
Creighton silver colloid including adenine (A)[or 2′‐deoxyadenosine 5′‐phosphate (pdA)] …
Absolute potassium cation affinities (PCAs) in the gas phase
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 …
established by hybrid density functional theory calculations (B3‐LYP with the 6‐311+ G (3df …