Extension of the CHARMM general force field to sulfonyl‐containing compounds and its utility in biomolecular simulations
Presented is an extension of the CHARMM General Force Field (CGenFF) to enable the
modeling of sulfonyl‐containing compounds. Model compounds containing chemical …
modeling of sulfonyl‐containing compounds. Model compounds containing chemical …
Organic chemistry. History and mutual relations of universities of Russia
IS Antipin, MA Kazymova, MA Kuznetsov… - Russian Journal of …, 2017 - Springer
The review describes the history of development of organic chemistry in higher schools of
Russia over a period of 170 years, since the emergence of organic chemistry in our country …
Russia over a period of 170 years, since the emergence of organic chemistry in our country …
Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium
EE Ebenso, T Arslan, F Kandemi̇rlı… - … Journal of Quantum …, 2010 - Wiley Online Library
Density functional theory (DFT) at the B3LYP/6‐31G (d, p) and BP86/CEP‐31G* basis set
levels and ab initio calculations using the RHF/6‐31G (d, p) methods were performed on …
levels and ab initio calculations using the RHF/6‐31G (d, p) methods were performed on …
Intramolecular hydrogen bonds in the sulfonamide derivatives of oxamide, dithiooxamide, and biuret. FT-IR and DFT study, AIM and NBO analysis
BA Shainyan, NN Chipanina, TN Aksamentova… - Tetrahedron, 2010 - Elsevier
The hydrogen bonding in [(1-arylsulfonylamino-2, 2, 2-trichloro) ethyl] biuret 1,[(1-
arylsulfonylamino-2, 2, 2-trichloro) ethyl] oxamide 2, and [(1-arylsulfonylamino-2, 2, 2 …
arylsulfonylamino-2, 2, 2-trichloro) ethyl] oxamide 2, and [(1-arylsulfonylamino-2, 2, 2 …
Controlling internal pore sizes in bicontinuous polymeric nanospheres
Complex polymeric nanospheres were formed in water from comb‐like amphiphilic block
copolymers. Their internal morphology was determined by three‐dimensional cryo‐electron …
copolymers. Their internal morphology was determined by three‐dimensional cryo‐electron …
Experimental and theoretical study of surface-enhanced Raman spectra of sulfadiazine adsorbed on nanoscale gold colloids
XR Shen, H Zheng, R Pang, GK Liu… - The Journal of …, 2019 - ACS Publications
Sulfadiazine, as a class of antibiotics, has been widely used in the world for decades;
however, its surface-enhanced Raman spectra (SERS) on gold colloids are obviously …
however, its surface-enhanced Raman spectra (SERS) on gold colloids are obviously …
The Shapes of Sulfonamides: A Rotational Spectroscopy Study
Benzenesulfonamides are a class of molecules of extreme interest in the biochemical field
because many of them are active against a variety of diseases. In this work, the …
because many of them are active against a variety of diseases. In this work, the …
Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl MorpholinesStudies on N−S Interactions
AR Modarresi-Alam, HA Amirazizi… - The Journal of …, 2009 - ACS Publications
The effect of the exocyclic conjugation, via d− p orbital interaction and/or negative
hyperconjugation (anomeric effect) of the N− S bond, on the inversion of the morpholine ring …
hyperconjugation (anomeric effect) of the N− S bond, on the inversion of the morpholine ring …
[PDF][PDF] Органическая химия. История и взаимная связь университетов России
ИС Антипин, МА Казымова, МА Кузнецов… - Журнал органической …, 2017 - isuct.ru
4.4. История и научные достижения кафедры органической химии РХТУ им. ДИ
Менделеева. 4.5. История кафедры органической химии Российского университета …
Менделеева. 4.5. История кафедры органической химии Российского университета …
Laser desorption single-conformation UV and IR spectroscopy of the sulfonamide drug sulfanilamide, the sulfanilamide–water complex, and the sulfanilamide dimer
T Uhlemann, S Seidel, CW Müller - Physical Chemistry Chemical …, 2017 - pubs.rsc.org
We have studied the conformational preferences of the sulfonamide drug sulfanilamide, its
dimer, and its monohydrated complex through laser desorption single-conformation UV and …
dimer, and its monohydrated complex through laser desorption single-conformation UV and …