X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (943) 943
Book Chapter (26) 26
Publication (22) 22
Book Review (13) 13
Conference Proceeding (11) 11
Book / eBook (2) 2
Dissertation (2) 2
Web Resource (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry, multidisciplinary (309) 309
chemistry, inorganic & nuclear (191) 191
chemistry, physical (185) 185
dihydrogen (161) 161
hydrogen bonding (161) 161
chemistry (156) 156
dihydrogen bond (147) 147
hydrogen (144) 144
dihydrogen complexes (129) 129
complexes (113) 113
analysis (97) 97
physics, atomic, molecular & chemical (97) 97
ab-initio (94) 94
reactivity (94) 94
chemistry, organic (89) 89
activation (81) 81
ligands (77) 77
index medicus (74) 74
catalysis (71) 71
dihydrogen phosphate (71) 71
hydrogen bonds (71) 71
dihydrogen bonds (70) 70
bonding (67) 67
dihydrogen bonding (66) 66
ruthenium (65) 65
crystal-structure (62) 62
chemical properties (58) 58
hydrogenation (56) 56
hydride (55) 55
dihydrogen activation (53) 53
frustrated lewis pairs (52) 52
hydrogen-bonds (52) 52
hydrides (48) 48
hydrogen-bond (48) 48
ligand (47) 47
density functional calculations (46) 46
physical chemistry (46) 46
crystallography (45) 45
molecular-hydrogen complexes (45) 45
coordination (44) 44
binding (42) 42
molecular-structure (42) 42
neutron-diffraction (41) 41
spectroscopy (41) 41
anions (40) 40
crystal structure (40) 40
organic chemistry (40) 40
phosphates (40) 40
density-functional theory (39) 39
mechanism (39) 39
electron-density (38) 38
proton-transfer (38) 38
chemical bonds (37) 37
molecules (37) 37
theoretical and computational chemistry (36) 36
wasserstoff (36) 36
atoms (35) 35
x-ray (35) 35
hydrogen storage (34) 34
research (34) 34
structure (34) 34
thermodynamics (34) 34
basis-sets (33) 33
catalysts (33) 33
computer applications in chemistry (33) 33
crystal (33) 33
density functionals (33) 33
derivatives (33) 33
hydrogen bond (33) 33
diffraction (32) 32
mathematical analysis (32) 32
models, molecular (32) 32
reduction (32) 32
bonds (31) 31
nmr (31) 31
ammonium dihydrogen phosphate (30) 30
boranes (30) 30
crystals (30) 30
density functional theory (30) 30
oxidative addition (30) 30
quantum theory (30) 30
usage (30) 30
x-ray diffraction (30) 30
density (29) 29
materials science, multidisciplinary (29) 29
nmr spectroscopy (29) 29
solid-state (29) 29
water (29) 29
gas-phase (28) 28
heterolytic dihydrogen activation (28) 28
nuclear magnetic resonance spectroscopy (28) 28
unconventional hydrogen-bonds (28) 28
alcohols (26) 26
free catalytic-hydrogenation (26) 26
h-2 (26) 26
dehydrogenation (25) 25
inorganic chemistry (25) 25
intermolecular interactions (25) 25
proton transfer (25) 25
qtaim (25) 25
more...
Library Location Library Location
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (959) 959
Chinese (9) 9
French (5) 5
German (5) 5
Japanese (3) 3
Malay (1) 1
Portuguese (1) 1
Spanish (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Dalton Transactions, ISSN 1477-9226, 03/2012, Volume 41, Issue 11, pp. 3278 - 3286
Density Functional Theory calculations have been performed for the sigma-hydroboryl complexes of iron, ruthenium and osmium [(H)(2)Cl(PMe3)(2)M(sigma-H-BR)] (M... 
NMR | ORDER REGULAR APPROXIMATION | COVALENT RADII | MOLECULAR-HYDROGEN COMPLEXES | RUTHENIUM COMPLEXES | COORDINATION | STATE | LIGAND | DIHYDROGEN COMPLEXES | BORANE COMPLEXES | CHEMISTRY, INORGANIC & NUCLEAR | Orbitals | Ruthenium | Fragments | Ligands | Iron | Mathematical models | Bonding | Osmium
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 09/2016, Volume 55, Issue 37, pp. 11069 - 11076
The synthesis of the first halogen bonding [3]rotaxane host system containing a bis‐iodo triazolium‐bis‐naphthalene diimide four station axle component is... 
molecular devices | rotaxanes | molecular dynamics | halogen bonding | supramolecular chemistry | PREORGANIZATION | RECEPTOR | ROTAXANE | CHEMISTRY, MULTIDISCIPLINARY | HYDROGEN-BONDS | DYNAMICS SIMULATIONS | AMBER | AQUEOUS SOLVENT MIXTURES | ANION RECOGNITION | BINDING | Phosphates | Molecular dynamics | Carbonates | Hydrogen | Nitrates | Communications | Communication
Journal Article
Structural Chemistry, ISSN 1040-0400, 8/2019, Volume 30, Issue 4, pp. 1335 - 1341
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 05/2003, Volume 9, Issue 9, pp. 1940 - 1951
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 02/2018, Volume 24, Issue 7, pp. 1464 - 1470
The ability of neutral transition‐metal hydrides to serve as a source of hydride ion H− or proton H+ is well appreciated. The hydride ligands possessing a... 
density functional calculations | dihydrogen bonding | reaction mechanism | transition metal hydrides | Z−H bond activation | Transition metal compounds | Hydrogen | Hydrogen bonding | Bonds | Protons | Metal hydrides | Hydrogen storage | Boron hydrides | Metals | Activation | Boron | Hydrogen bonds | Polarity | Bonding | Hydrogen ion concentration
Journal Article
JOURNAL OF CHEMICAL SCIENCES, ISSN 0974-3626, 10/2016, Volume 128, Issue 10, pp. 1527 - 1536
In this perspective article, the basic theory and applications of the "Quantum Theory of Atoms in Molecules" have been presented with examples from different... 
BENZENE | H-bonding | AB-INITIO | REACTIVITY | DESCRIPTORS | CHEMISTRY, MULTIDISCIPLINARY | COMPREHENSIVE ANALYSIS | HYDROGEN-BONDS | WAVE-FUNCTION | non-covalent interaction | chemical bonding | DIHYDROGEN BOND | electron density | QTAIM | ELECTRON-DENSITY | WATER
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 02/2018, Volume 24, Issue 7, p. n/a
The term “Y−Z bond activation” is traditionally understood as a reaction that cleaves the bond. In this work, the authors analyse recent works on the reactions... 
density functional calculations | dihydrogen bonding | reaction mechanism | transition metal hydrides | Z−H bond activation | Hydrogen | Hydrogen bonding | Lewis acid | Boron | Hydrogen storage | Splitting | Boron hydrides | Acids | Activation | Hydrides | Bonding | Hydrogen ion concentration
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2015, Volume 17, Issue 25, pp. 16375 - 16387
The nature of the NO-bond in the N-oxide group was investigated by means of combined theoretical calculations (including QTAIM and NBO approaches) and... 
METHOD DEPENDENCE | RESONANCE THEORY | DOT-H INTERACTIONS | HYDROGEN-BOND | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AB-INITIO CALCULATIONS | DIHYDROGEN BONDS | CHEMISTRY, PHYSICAL | CRYSTAL-STRUCTURES | BASIS-SET | HALOGEN BOND | ELECTRON-DENSITY | Availability | Mathematical analysis | Formations | Electron density | Bonding | Basicity | Elongation | Crystal structure
Journal Article
CHEMISTRY-A EUROPEAN JOURNAL, ISSN 0947-6539, 02/2018, Volume 24, Issue 7, pp. 1464 - 1464
The ability of neutral transition-metal hydrides to serve as a source of hydride ion H- or proton H+ is well appreciated. The hydride ligands possessing a... 
Z-H bond activation | IONIC HYDROGENATIONS | MECHANISM | DIHYDROGEN COMPLEXES | LOW-TEMPERATURE | CHEMISTRY, MULTIDISCIPLINARY | TRANSITION-METAL HYDRIDES | density functional calculations | dihydrogen bonding | reaction mechanism | KINETICS | PERIODIC TRENDS | DONOR ABILITIES | PROTON-TRANSFER | transition metal hydrides
Journal Article
JOURNAL OF ADHESIVE DENTISTRY, ISSN 1461-5185, 03/2019, Volume 21, Issue 2, pp. 107 - 116
Purpose: To investigate direct bonding of a 10-MDP-based cement to two novel translucent yttria-stabilized tetragonal zirconia polycrystal ceramics (4Y-TZP,... 
RESIN | ADHESION | shear bond strength | translucent | SINGLE CROWNS | chemical bond | DENTISTRY, ORAL SURGERY & MEDICINE | thermocycling | DIHYDROGEN PHOSPHATE | zirconia | 10-MDP | RESTORATIONS | Clinical Medicine | Odontologi | Medical and Health Sciences | Medicin och hälsovetenskap | Dentistry | Klinisk medicin
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 07/2015, Volume 17, Issue 25, pp. 16375 - 16387
The nature of the NO-bond in the N-oxide group was investigated by means of combined theoretical calculations (including QTAIM and NBO approaches) and... 
Journal Article