X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry (44) 44
organic chemistry (44) 44
peptides (37) 37
metallurgy (35) 35
human necessities (28) 28
hygiene (28) 28
medical or veterinary science (28) 28
preparations for medical, dental, or toilet purposes (28) 28
index medicus (27) 27
specific therapeutic activity of chemical compounds ormedicinal preparations (23) 23
chemistry, physical (20) 20
chemistry, multidisciplinary (19) 19
physics, atomic, molecular & chemical (15) 15
biochemistry (14) 14
beer (13) 13
enzymology (13) 13
microbiology (13) 13
mutation or genetic engineering (13) 13
spirits (13) 13
vinegar (13) 13
wine (13) 13
chemistry, organic (11) 11
compositions thereof (11) 11
culture media (11) 11
microorganisms or enzymes (11) 11
propagating, preserving or maintaining microorganisms (11) 11
chemical reactions (9) 9
compositions or test papers therefor (9) 9
condition-responsive control in microbiological orenzymological processes (9) 9
density-functional theory (9) 9
measuring or testing processes involving enzymes, nucleicacids or microorganisms (9) 9
physics (9) 9
processes of preparing such compositions (9) 9
molecular dynamics (8) 8
solvation free-energies (8) 8
activation (7) 7
analysis (7) 7
computer simulation (7) 7
fermentation or enzyme-using processes to synthesise a desiredchemical compound or composition or to separate optical isomersfrom a racemic mixture (7) 7
hydrogen bonding (7) 7
investigating or analysing materials by determining theirchemical or physical properties (7) 7
measuring (7) 7
molecular-dynamics (7) 7
research (7) 7
testing (7) 7
apparatus for enzymology or microbiology (6) 6
aqueous-solution (6) 6
binding (6) 6
chemical properties (6) 6
humans (6) 6
proton-transfer (6) 6
proteins (5) 5
quantum theory (5) 5
thermodynamics (5) 5
usage (5) 5
agriculture (4) 4
animal husbandry (4) 4
care of birds, fishes, insects (4) 4
chemical synthesis (4) 4
crystallography (4) 4
derivatives (4) 4
fishing (4) 4
forestry (4) 4
glycine (4) 4
hunting (4) 4
lösungsmittel (4) 4
male (4) 4
mechanism (4) 4
model (4) 4
molecular dynamics simulation (4) 4
multidisciplinary sciences (4) 4
new breeds of animals (4) 4
organic-acids (4) 4
quantum chemistry (4) 4
rearing or breeding animals, not otherwise provided for (4) 4
solvents (4) 4
sugars (4) 4
trapping (4) 4
adducts (3) 3
alcohols (3) 3
allosteric properties (3) 3
amides (3) 3
aminosäuren (3) 3
apoptosis - drug effects (3) 3
article (3) 3
autoimmune diseases (3) 3
azobenzene photoswitches (3) 3
basic biological sciences (3) 3
biochemistry & molecular biology (3) 3
carbonyl compounds (3) 3
carboxylic-acids (3) 3
catalysis (3) 3
catalysts (3) 3
complete basis-set (3) 3
coupling (3) 3
density functional theory (3) 3
density functionals (3) 3
derivatives thereof (3) 3
diazoalkanes (3) 3
dynamics (3) 3
more...
Library Location Library Location
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (134) 134
French (11) 11
Spanish (7) 7
Chinese (2) 2
German (2) 2
Korean (1) 1
Norwegian (1) 1
Portuguese (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Physical Chemistry Chemical Physics, ISSN 1463-9076, 01/2015, Volume 17, Issue 4, pp. 2859 - 2868
Continuum solvent calculations of pKas and reduction potentials usually entail the use of a thermodynamic cycle to express the reaction free energy in terms of... 
Journal Article
Australian Journal of Chemistry, ISSN 0004-9425, 2014, Volume 67, Issue 10, pp. 1441 - 1460
Computational prediction of condensed phase acidity is a topic of much interest in the field today. We introduce the methods available for predicting gas phase... 
Journal Article
ISSN 1463-9076, 12/2014, Volume 17, Issue 4, pp. 2859 - 2868
Continuum solvent calculations of p K a s and reduction potentials usually entail the use of a thermodynamic cycle to express the reaction free energy in terms... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 12/2014, Volume 17, Issue 4, pp. 2859 - 2868
Continuum solvent calculations of pK sub(a)s and reduction potentials usually entail the use of a thermodynamic cycle to express the reaction free energy in... 
Solvents | Solvation | Computation | Continuums | Mathematical models | Thermodynamic cycles | Electrode potentials | Free energy
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 01/2009, Volume 125, Issue 1, pp. 3 - 21
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 02/2016, Volume 120, Issue 7, pp. 1319 - 1329
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2009, Volume 5, Issue 2, pp. 295 - 306
In this study, the aqueous pKa values for 13 neutral, 10 cationic, and 5 anionic carbon acids, including amino acids, peptides, and related species have been... 
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 1/2010, Volume 125, Issue 1, pp. 3 - 21
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 08/2018, Volume 2018, Issue 29, pp. 3974 - 3981
The hydration of alkynes is one of the most atom‐economic and versatile synthetic protocols to access carbonyl compounds. This fundamental reaction, however,... 
Lewis acids | Hydration | Organocatalysis | Tropylium | Alkynes | SYSTEM | P-TOLUENESULFONIC ACID | ACTIVATION | MARKOVNIKOV HYDRATION | SILVER | CHEMISTRY, ORGANIC | TERMINAL ALKYNES | KETONES | N-HETEROCYCLIC OLEFINS | EFFICIENT | WATER
Journal Article
Nature Communications, ISSN 2041-1723, 12/2019, Volume 10, Issue 1, pp. 582 - 9
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2019, Volume 58, Issue 11, pp. 3630 - 3634
The functionalization of C−H bonds with non‐precious metal catalysts is an important research area for the development of efficient and sustainable processes.... 
C−H functionalization | iron | indoles | diazoalkanes | biocatalysis | CARBENE | ACTIVATION | AMINO | COMPLEXES | CYCLOPROPANATION | C-H functionalization | CHEMISTRY, MULTIDISCIPLINARY | REARRANGEMENT | HEME | CONSTRUCTION | STEREOSELECTIVE-SYNTHESIS | INHIBITOR | Enzymes | Catalysis | Metal catalysts | Sustainable development | Porphyrins | Tryptamine | Catalysts | Indole | Chemical reactions | Iron | Tryptamines | Indoles | Chemical synthesis | Functional groups
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 09/2011, Volume 1, Issue 5, pp. 649 - 660
This paper provides an overview of contemporary computational protocols toward accurate prediction of acidities in the gas and aqueous phase. The performance... 
WATER CLUSTERS | SOLVATION FREE-ENERGIES | MOLLER-PLESSET | POLARIZABLE CONTINUUM MODEL | COMPLETE BASIS-SET | PK(A) VALUES | ACCURATE CALCULATION | MATHEMATICAL & COMPUTATIONAL BIOLOGY | DENSITY-FUNCTIONAL THEORY | ORGANIC-ACIDS | CHEMISTRY, MULTIDISCIPLINARY | PRINCIPLES-BASED METHOD
Journal Article
Chemical Science, ISSN 2041-6520, 01/2018, Volume 9, Issue 23, pp. 5145 - 5151
The carbonyl–olefin metathesis (COM) reaction is a highly valuable chemical transformation in a broad range of applications. However, its scope is much less... 
Lewis acid | Organic chemistry | Chemical reactions | Substrates | Metathesis | Carbonyls
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2014, Volume 16, Issue 29, pp. 15068 - 15106
Journal Article