X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry, physical (60) 60
physics, atomic, molecular & chemical (54) 54
spectroscopy (44) 44
terahertz spectroscopy (34) 34
density functional theory (29) 29
spectra (27) 27
density functionals (26) 26
usage (24) 24
chemical properties (22) 22
analysis (20) 20
index medicus (20) 20
crystal structure (19) 19
optical rectification (18) 18
ab-initio (17) 17
vibration (17) 17
crystallization (15) 15
polymorphism (14) 14
models, molecular (13) 13
research (13) 13
chemistry, multidisciplinary (12) 12
crystals (12) 12
density-functional theory (12) 12
molecules (12) 12
generalized gradient approximation (11) 11
spectrum (11) 11
spectrum analysis (11) 11
structure (11) 11
a: molecular structure, quantum chemistry, general theory (10) 10
crystallography, x-ray (10) 10
hydrogen bonding (10) 10
molecular structure (10) 10
dynamics (9) 9
solids (9) 9
absorption (8) 8
acid (8) 8
computer simulation (8) 8
density (8) 8
exchange-energy (8) 8
pulsed spectroscopy (8) 8
quantum theory (8) 8
spektroskopie (8) 8
stereoisomerism (8) 8
terahertz radiation (8) 8
crystallography (7) 7
dichtefunktionaltheorie (7) 7
dispersions (7) 7
drug (7) 7
explosives (7) 7
hartree-fock (7) 7
theoretical-analysis (7) 7
assignment (6) 6
basis-set (6) 6
complexes (6) 6
crystal (6) 6
hydrates (6) 6
materials science, multidisciplinary (6) 6
polarization (6) 6
polymorphs (6) 6
simulation (6) 6
time-domain spectroscopy (6) 6
vibrations (6) 6
chemistry (5) 5
diffraction (5) 5
energy (5) 5
frequencies (5) 5
infrared spectroscopy (5) 5
mathematical analysis (5) 5
molecular conformation (5) 5
phase (5) 5
protein (5) 5
röntgendiffraktion (5) 5
serine (5) 5
solid-state dft (5) 5
thermodynamics (5) 5
water - chemistry (5) 5
absorption spectra (4) 4
accurate (4) 4
amino-acids (4) 4
atomic properties (4) 4
crystal09 (4) 4
elasticity (4) 4
exchange (4) 4
far-infrared (4) 4
illicit drugs (4) 4
intermolecular forces (4) 4
lattices (4) 4
mathematical models (4) 4
measurement (4) 4
origins (4) 4
single crystal x-ray crystallography (4) 4
solid modeling (4) 4
water (4) 4
x-ray diffraction (4) 4
x-rays (4) 4
5-tetrazole (3) 3
approximation (3) 3
behavior (3) 3
chemistry, analytical (3) 3
crystal-structure (3) 3
elastizität (3) 3
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of physics. D, Applied physics, ISSN 1361-6463, 2017, Volume 50, Issue 4, p. 043001
Science and technologies based on terahertz frequency electromagnetic radiation (100 GHz-30 THz) have developed rapidly over the last 30 years. For most of the... 
terahertz | semiconductors | time-domain spectroscopy | PHYSICS, APPLIED | PERFORMANCE | THZ | PHOTOCONDUCTIVE EMITTERS | QUANTUM-CASCADE LASERS | RADIATION | NEAR-FIELD | GENERATION | EX-VIVO | METAL WAVE-GUIDES | NUCLEAR PHYSICS AND RADIATION PHYSICS | INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY | ENGINEERING
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 09/2016, Volume 120, Issue 38, pp. 7490 - 7495
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2016, Volume 55, Issue 24, pp. 6877 - 6881
The rigidity of poly‐l‐proline is an important contributor to the stability of many protein secondary structures, where it has been shown to strongly influence... 
polyproline | terahertz spectroscopy | biopolymers | elasticity | proteins | COLLAGEN | POLYPROLINE-II HELIX | MECHANICAL-PROPERTIES | CHEMISTRY, MULTIDISCIPLINARY | YOUNGS MODULUS | TRANSITION | DYNAMICS | PROTEIN FLEXIBILITY | Measurement | Proteins | Proline | Density functionals | Spectrum analysis | Elasticity | Communications | Communication
Journal Article
Chemical communications (Cambridge, England), ISSN 1364-548X, 2018, Volume 54, Issue 45, pp. 5776 - 5779
In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate – even down... 
IMIDAZOLATE | SIMULATIONS | CHEMISTRY, MULTIDISCIPLINARY | FLEXIBILITY | ACID CRYSTALS | Rotor dynamics | Computer simulation | Metal-organic frameworks | Cryogenic temperature | Spectrum analysis
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2016, Volume 55, Issue 24, pp. 6796 - 6796
...‐proline helices by probing their spring‐like vibrational motions. In their Communication on page 6877 ff., T. M. Korter and co... 
polyproline | terahertz spectroscopy | biopolymers | elasticity | proteins | Elasticity | Spectrum analysis
Journal Article
ISSN 1463-9076, 2/2016, Volume 18, Issue 7, pp. 5521 - 5528
Low-barrier hydrogen bonds (LBHBs) are key components in a range of chemical processes, often appearing in metal-mediated catalytic applications. The formation... 
Journal Article
ISSN 1463-9076, 11/2017, Volume 19, Issue 42, pp. 2852 - 2856
...† Michael T. Ruggiero, ab J. Axel Zeitler b and Timothy M. Korter * a Crystalline polymorphism is a phenomenon that occurs in many molecular solids, resulting... 
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2016, Volume 18, Issue 7, pp. 5521 - 5528
Low-barrier hydrogen bonds (LBHBs) are key components in a range of chemical processes, often appearing in metal-mediated catalytic applications. Low-barrier... 
DENSITY | SYSTEM | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | NEUTRON-DIFFRACTION | CHEMISTRY, PHYSICAL | STRENGTH | PROTON | BASIS-SET | SALTS | MALEATE | Positioning devices (machinery) | Maleates | Water chemistry | Hydrogen bonds | Density functional theory | Ligands | Formations | Cations
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2015, Volume 17, Issue 10, pp. 6734 - 6740
... of camphor Daniel V. Nickel,* a Michael T. Ruggiero, b Timothy M. Korter b and Daniel M. Mittleman a The temperature-dependent terahertz spectra of the partially... 
TRANSITION | RAMAN-SPECTRUM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TEMPERATURE CRYSTAL-STRUCTURE | DIELECTRIC RELAXATION | TIME-DOMAIN SPECTROSCOPY | LIQUIDS | Origins | Descriptions | Phases | Simulation | Camphor | Lattices | Spectra | Rotational | Lattice vibration
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2017, Volume 19, Issue 42, pp. 28502 - 28506
Terahertz vibrational spectroscopy and solid-state density functional theory together reveal the true nature of a pseudo-continuous crystalline polymorphic... 
CHEMISTRY, PHYSICAL | TEMPERATURE | PHASE-TRANSITION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2015, Volume 17, Issue 46, pp. 31023 - 31029
...( ) sulfate pentahydrate. Metal-aqua ion ([M(H 2 O) n ] X+ ) formation is a fundamental step in mechanisms that are central to enzymatic and industrial catalysis... 
OF-STATES | CATALYSIS | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ELECTRON POPULATION ANALYSIS | METAL | POLYMORPHISM | ABSORPTION | DENSITY-FUNCTIONAL THEORY | PLANE-WAVE | Origins | Orbitals | Diffraction | Crystals | Mathematical models | Sulfates | Copper | Crystal structure
Journal Article
Chemical science (Cambridge), ISSN 2041-6539, 2019, Volume 10, Issue 5, pp. 1332 - 1341
A single lattice vibration at 15.5 cm −1 serves as a gateway for the polymorphic conversion of thermosalient 1,2,4,5-tetrabromobenzene crystals. The... 
SELF-ACTUATION | JUMPING CRYSTALS | CHEMISTRY, MULTIDISCIPLINARY | PHASE-TRANSITIONS | BEHAVIOR
Journal Article
ISSN 1359-7345, 5/2018, Volume 54, Issue 45, pp. 5776 - 5779
..., a Adam J. Zaczek, b Timothy M. Korter, b J. Axel Zeitler a and Michael T. Ruggiero a Department of Chemical Engineering and Biotechnology, University of Cambridge... 
Journal Article
ISSN 1463-9076, 11/2015, Volume 17, Issue 46, pp. 3123 - 3129
Metal-aqua ion ([M(H 2 O) n ] X + ) formation is a fundamental step in mechanisms that are central to enzymatic and industrial catalysis... 
Journal Article
ISSN 2041-6520, 1/2019, Volume 1, Issue 5, pp. 1332 - 1341
... ce Naumov b and Timothy M. Korter * a The thermosalient behavior of 1,2,4,5-tetrabromobenzene (TBB) is related to a temperature-induced polymorphic structural... 
Journal Article
ISSN 1463-9076, 11/2017, Volume 19, Issue 42, pp. 28647 - 28652
... glutamate salts† Michael T. Ruggiero, ab Juraj Sibik, ‡ b Alessandro Erba, c J. Axel Zeitler b and Timothy M. Korter * a Crystalline salt compounds composed of metal... 
Journal Article
Chemical communications (Cambridge, England), ISSN 1364-548X, 2015, Volume 51, Issue 89, pp. 16037 - 16040
We present experimental and computational evidence that gate-opening modes for zeolitic imidazole frameworks can be observed at terahertz frequencies. We... 
FREQUENCIES | BEHAVIOR | FLEXIBILITY | DYNAMICS | SEPARATION | ADSORPTION | SPECTRA | CHEMISTRY, MULTIDISCIPLINARY | FRAMEWORKS | Dynamic structural analysis | Spectroscopy | Computation | Terahertz frequencies | Imidazole | Lattices | Lattice vibration | Crystal structure
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2017, Volume 19, Issue 42, pp. 28647 - 28652
Specific anion–cation orbital interactions lead to the large structural and spectral differences observed in crystalline monosodium and monopotassium... 
TERAHERTZ RADIATION | WAVE-FUNCTIONS | SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PHARMACEUTICAL COCRYSTALS | CHEMISTRY, PHYSICAL | ORBITAL OVERLAP | POTASSIUM | POLYMORPHISM | BASIS-SET | LITHIUM-NIOBATE | HYDROGEN-BONDS
Journal Article