X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (196) 196
Publication (31) 31
Book / eBook (16) 16
Book Chapter (10) 10
Patent (8) 8
Web Resource (7) 7
Conference Proceeding (3) 3
Newspaper Article (3) 3
Dissertation (1) 1
Reference (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
physics, atomic, molecular & chemical (74) 74
chemistry, physical (69) 69
molecular-dynamics (26) 26
dynamics (24) 24
index medicus (24) 24
chemical sciences (23) 23
physics (21) 21
quantum theory (21) 21
systems (18) 18
time dependence (18) 18
analysis (16) 16
or physical chemistry (16) 16
theoretical and (16) 16
quantum dynamics (14) 14
chemistry (13) 13
conical intersections (13) 13
charge transfer (12) 12
conjugated polymers (12) 12
density-functional theory (12) 12
excitation (12) 12
photochemistry (11) 11
relaxation (11) 11
research (11) 11
states (11) 11
potential-energy surfaces (10) 10
spectroscopy (10) 10
[ chim.theo ] chemical sciences/theoretical and/or physical chemistry (9) 9
dissociation (9) 9
energy transfer (9) 9
excitons (9) 9
mathematical analysis (9) 9
molecular dynamics (9) 9
[chim.theo]chemical sciences/theoretical and/or physical chemistry (8) 8
chemistry, multidisciplinary (8) 8
electron-transfer (8) 8
isomerization (8) 8
materials science, multidisciplinary (8) 8
measuring (8) 8
measuring electric variables (8) 8
measuring magnetic variables (8) 8
nanoscience & nanotechnology (8) 8
physics, multidisciplinary (8) 8
spectra (8) 8
testing (8) 8
wave-packet dynamics (8) 8
[ chim ] chemical sciences (7) 7
chemical properties (7) 7
coherence (7) 7
electronic structure (7) 7
formulation (7) 7
history (7) 7
photoactive yellow protein (7) 7
potential energy (7) 7
quantum chemistry (7) 7
science (7) 7
spectrum analysis (7) 7
trajectories (7) 7
ab-initio (6) 6
born-oppenheimer (6) 6
conical intersection (6) 6
dna (6) 6
identification (6) 6
mathematical models (6) 6
mechanics (6) 6
molecular structure (6) 6
oligomers (6) 6
physical chemistry (6) 6
physics - chemical physics (6) 6
spectral density (6) 6
structure (6) 6
[ phys ] physics [physics] (5) 5
absorption spectra (5) 5
algorithm (5) 5
approximation (5) 5
chromophores (5) 5
conformational disorder (5) 5
conjugated polymer (5) 5
density (5) 5
detecting masses or objects (5) 5
diagnosis (5) 5
electronic books (5) 5
excited-state (5) 5
gaussian-basis sets (5) 5
geophysics (5) 5
gravitational measurements (5) 5
human necessities (5) 5
hydrogen (5) 5
hygiene (5) 5
inorganic, organic, physical and analytical chemistry (5) 5
investigating or analysing materials by determining theirchemical or physical properties (5) 5
materials science (5) 5
medical or veterinary science (5) 5
model (5) 5
molecular dynamics simulation (5) 5
photochemie (5) 5
photoinduced electron-transfer (5) 5
settore chim/02 - chimica fisica (5) 5
short-time dynamics (5) 5
solar-cells (5) 5
surgery (5) 5
more...
Library Location Library Location
Library Location Library Location
X
Sort by Item Count (A-Z)
Filter by Count
Online Resources - Online (7) 7
Robarts - Stacks (5) 5
UofT at Mississauga - Stacks (5) 5
St. Michael's College (John M. Kelly) - 2nd Floor (3) 3
UTL at Downsview - May be requested (3) 3
Gerstein Science - Stacks (2) 2
Mathematical Sciences - Stacks (1) 1
Thomas Fisher Rare Book - Rare Book (1) 1
UofT at Scarborough - Stacks (1) 1
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Faraday Discussions, ISSN 1359-6640, 2020, Volume 221, pp. 30 - 58
The multi-state photodynamics following the B 3Πu(0+) ← X 1Σ+g excitation of molecular iodine in a krypton crystal are studied quantum mechanically using the... 
Journal Article
ISSN 1359-6640, 12/2019, Volume 221, pp. 46 - 427
High-dimensional multiconfigurational quantum dynamics simulations are carried out at finite temperature to simulate exciton diffusion on an oligothiophene... 
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 11/2013, Volume 135, Issue 44, pp. 16364 - 16367
In organic photovoltaics, the mechanism by which free electrons and holes are generated, overcoming the Coulomb attraction, is a currently much debated topic.... 
SYSTEM | SOLAR-CELLS | ELECTRON-TRANSFER | FILMS | POLYTHIOPHENE | DYNAMICS | INTERFACES | TRANSFER STATE | EFFICIENCY | CHEMISTRY, MULTIDISCIPLINARY | BULK HETEROJUNCTION | Research | Electron configuration | Charge transfer | Analysis | Quantum theory
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 22, p. 224106
A variational approach for the quantum dynamics of statistical mixtures is developed, which is based upon the representation of the natural states of the... 
DECOHERENCE | QUANTUM DYNAMICS | SPECTROSCOPY | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | RELAXATION | Time dependence | System dynamics | Thermalization (energy absorption) | Energy dissipation | Open systems | Schroedinger equation | Wave functions | Quantum tunnelling | Wave packets
Journal Article
The Journal of chemical physics, 02/2019, Volume 150, Issue 6, p. 064112
This study presents quantum dynamical simulations, using the Gaussian-based multiconfigurational time-dependent Hartree (G-MCTDH) method, of time-resolved... 
Journal Article
The Journal of chemical physics, 02/2019, Volume 150, Issue 6, p. 064111
The molecular dynamics following the electronic BΠu30 ⟵XΣg+1 photoexcitation of the iodine molecule embedded in solid krypton are studied quantum mechanically... 
Journal Article
Biophysical Journal, ISSN 0006-3495, 08/2014, Volume 107, Issue 4, p. 932
  Molecular photoswitches provide a promising way for selective regulation of nanoscaled biological systems. It has been shown that conformational changes of... 
Simulation | Temperature effects | Deoxyribonucleic acid--DNA | Binding sites
Journal Article
Faraday discussions, 12/2019, Volume 221, p. 30
The multi-state photodynamics following the B 3Πu(0+) ← X 1Σ+g excitation of molecular iodine in a krypton crystal are studied quantum mechanically using the... 
Journal Article
Faraday discussions, 12/2019, Volume 221, p. 406
High-dimensional multiconfigurational quantum dynamics simulations are carried out at finite temperature to simulate exciton diffusion on an oligothiophene... 
Journal Article
Physical Review Letters, ISSN 0031-9007, 06/2018, Volume 120, Issue 22
We report on high-dimensional quantum dynamical simulations of photoinduced exciton migration in a single-chain oligothiophene segment, in view of elucidating... 
Planarization | First principles | Excitons | Chain dynamics | Migration | Coherence | Time | Conjugation | Photoexcitation
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2014, Volume 118, Issue 8, pp. 1339 - 1349
The mechanism of the photochemical conversion of spiropyran to merocyanine is investigated theoretically. Calculations were performed at TD-DFT/ωB97XD/cc-pVDZ... 
Journal Article
1997, Advances in chemical physics, ISBN 0471180483, Volume 101., xxxii, 947
Book
The Journal of Chemical Physics, ISSN 0021-9606, 02/2019, Volume 150, Issue 6, p. 64111
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 02/2019, Volume 150, Issue 6, p. 64112
This study presents quantum dynamical simulations, using the Gaussian-based multiconfigurational time-dependent Hartree (G-MCTDH) method, of time-resolved... 
SIDE | PHASE | ULTRAFAST DYNAMICS | FREQUENCY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | I-2 | Raman spectra | Atomic properties | Krypton | Superposition (mathematics) | Wave packets | Time dependence | Simulation | Energy dissipation | Spectrum analysis | Quantum mechanics | Coherence | Clusters | Energy transfer | Iodine
Journal Article
2017, ISBN 9814745332, 450 pages
Ultrafast Dynamics at the Nanoscale provides a combined experimental and theoretical insight into the molecular-level investigation of light-induced quantum... 
Picosecond pulses | Optical spectroscopy | Dynamics | Macromolecules | Nanobiotechnology | Chemistry | Physical Chemistry | Materials Science | Chemical Spectroscopy | Biomolecules | Synthesis | Life Sciences
Book
Chemical Science, ISSN 2041-6520, 01/2018, Volume 9, Issue 20, pp. 4671 - 4681
The photoregulation of nucleic acids by azobenzene photoswitches has recently attracted considerable interest in the context of emerging biotechnological... 
Dynamic tests | Ribonucleic acids | Quantum mechanics | Isomerization | Chirality | Nucleic acids | Enantiomers | Quantum physics | Molecular chains
Journal Article
01/2017, ISBN 9814745332, 489
Ultrafast Dynamics at the Nanoscale provides a combined experimental and theoretical insight into the molecular-level investigation of light-induced quantum... 
Picosecond pulses | Optical spectroscopy | Dynamics | Macromolecules | Nanobiotechnology
eBook
Physical Review Letters, ISSN 0031-9007, 08/2015, Volume 115, Issue 10, p. 107401
Singlet excitons in π-stacked molecular crystals can split into two triplet excitons in a process called singlet fission that opens a route to carrier... 
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.