X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (300923) 300923
Publication (25417) 25417
Newsletter (15419) 15419
Conference Proceeding (6398) 6398
Book Chapter (2542) 2542
Book Review (1851) 1851
Newspaper Article (1393) 1393
Dissertation (764) 764
Book / eBook (345) 345
Magazine Article (251) 251
Paper (210) 210
Government Document (193) 193
Web Resource (59) 59
Trade Publication Article (58) 58
Reference (56) 56
Transcript (34) 34
Data Set (31) 31
Technical Report (12) 12
Report (8) 8
Standard (3) 3
Journal / eJournal (1) 1
Poster (1) 1
Presentation (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
density functional theory (61461) 61461
chemistry, physical (61414) 61414
density (54168) 54168
index medicus (51777) 51777
density functionals (51717) 51717
analysis (51277) 51277
density-functional theory (42681) 42681
humans (35687) 35687
physics, atomic, molecular & chemical (30787) 30787
chemistry, multidisciplinary (29409) 29409
research (27897) 27897
animals (25596) 25596
materials science, multidisciplinary (24422) 24422
female (20426) 20426
male (20159) 20159
mathematical analysis (19394) 19394
physics, condensed matter (18563) 18563
adsorption (17142) 17142
chemistry (16889) 16889
dichtefunktionaltheorie (15902) 15902
usage (15857) 15857
chemical properties (14887) 14887
physics, applied (14152) 14152
ab-initio (13996) 13996
density functional calculations (12672) 12672
biochemistry & molecular biology (11165) 11165
spectroscopy (10786) 10786
specific gravity (10736) 10736
middle aged (10679) 10679
hydrogen (10520) 10520
chemistry, inorganic & nuclear (10238) 10238
density-functional-theory (10048) 10048
graphene (9932) 9932
nanoscience & nanotechnology (9926) 9926
dft (9788) 9788
catalysis (9559) 9559
thermodynamics (9509) 9509
mathematical models (9419) 9419
adult (9045) 9045
electronic-structure (8824) 8824
physics (8774) 8774
aged (8772) 8772
approximation (8601) 8601
energy (8583) 8583
electronic structure (8575) 8575
ecology (8359) 8359
molecules (8191) 8191
carbon (8110) 8110
oxidation (8033) 8033
computer simulation (8031) 8031
proteins (8014) 8014
structure (7937) 7937
organic chemistry (7803) 7803
mice (7798) 7798
nanoparticles (7681) 7681
article (7509) 7509
electrochemistry (7488) 7488
spectra (7347) 7347
osteoporosis (7318) 7318
bone density (7254) 7254
multidisciplinary sciences (7173) 7173
exchange (7162) 7162
ligands (7143) 7143
endocrinology & metabolism (7016) 7016
stability (6908) 6908
physiological aspects (6899) 6899
optical properties (6850) 6850
studies (6841) 6841
molecular structure (6741) 6741
risk factors (6719) 6719
complexes (6674) 6674
chemistry, organic (6653) 6653
derivatives (6648) 6648
electrons (6646) 6646
dynamics (6629) 6629
models (6585) 6585
cholesterol (6539) 6539
models, molecular (6537) 6537
model (6477) 6477
quantum theory (6428) 6428
reports (6258) 6258
population density (6233) 6233
low density lipoproteins (6185) 6185
neurosciences (6154) 6154
catalysts (6097) 6097
engineering, chemical (6077) 6077
kinetics (5980) 5980
rats (5964) 5964
atherosclerosis (5958) 5958
growth (5946) 5946
electric properties (5937) 5937
water (5904) 5904
physical chemistry (5878) 5878
temperature (5868) 5868
crystal-structure (5834) 5834
research article (5730) 5730
medicine (5723) 5723
bones (5674) 5674
oxygen (5663) 5663
cell biology (5637) 5637
more...
Library Location Library Location
Library Location Library Location
X
Sort by Item Count (A-Z)
Filter by Count
Gerstein Science - Stacks (129) 129
Online Resources - Online (66) 66
Robarts - Stacks (33) 33
UTL at Downsview - May be requested (28) 28
UofT at Mississauga - Stacks (25) 25
Collection Dvlpm't (Acquisitions) - Vendor file (22) 22
Collection Dvlpm't (Acquisitions) - Closed Orders (21) 21
UofT at Scarborough - Stacks (21) 21
Engineering & Comp. Sci. - Stacks (18) 18
Physics - Stacks (18) 18
Chemistry (A D Allen) - Stacks (8) 8
Earth Sciences (Noranda) - Stacks (8) 8
Royal Ontario Museum - Stacks (7) 7
Architecture Landscape (Shore + Moffat) - Stacks (6) 6
Astronomy & Astrophysics - Ask at library (3) 3
Mathematical Sciences - Stacks (3) 3
OISE - Stacks (3) 3
Royal Ontario Museum - Periodical Stacks (3) 3
Aerospace - Stacks (2) 2
Gerstein Science - Missing (2) 2
St. Michael's College (John M. Kelly) - 2nd Floor (2) 2
Trinity College (John W Graham) - Stacks (2) 2
UofT at Scarborough - Withdrawn (2) 2
Victoria University E.J. Pratt - Stacks (2) 2
Earth Sciences (Noranda) - Missing (1) 1
Engineering & Comp. Sci. - May be requested in 6-10 wks (1) 1
Gerstein Science - Circulation Desk (1) 1
Gerstein Science - Theses (1) 1
Indust. Rel's & Hum. Resources (Newman) - Stacks (1) 1
Knox College (Caven) - Stacks (1) 1
Law (Bora Laskin) - Stacks (1) 1
Mathematical Sciences - Missing (1) 1
New College (Ivey) - Stacks (1) 1
Physics - New Books (1) 1
Physics - Storage (1) 1
Physics - Theses (1) 1
Richard Charles Lee Canada-Hong Kong - Library use only (1) 1
Robarts - Course Reserves (1) 1
St. Michael's Hospital - Stacks (1) 1
Trinity College (John W Graham) - Storage (1) 1
University Archives - Archives (1) 1
UofT at Mississauga - Not returned (1) 1
UofT at Scarborough - May be requested in 6-10 wks (1) 1
Victoria University Emmanuel College - Storage (1) 1
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (321104) 321104
Chinese (2508) 2508
German (809) 809
French (608) 608
Japanese (364) 364
Russian (186) 186
Portuguese (117) 117
Spanish (100) 100
Korean (85) 85
Polish (35) 35
Ukrainian (31) 31
Turkish (27) 27
Swedish (21) 21
Czech (12) 12
Italian (10) 10
Croatian (5) 5
Danish (5) 5
Slovenian (5) 5
Arabic (4) 4
Dutch (4) 4
Latvian (4) 4
Persian (4) 4
Indonesian (3) 3
Lithuanian (3) 3
Serbian (3) 3
Hungarian (2) 2
Malay (2) 2
Bosnian (1) 1
Estonian (1) 1
Finnish (1) 1
Greek (1) 1
Latin (1) 1
Romanian (1) 1
Slovak (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


2009, 1. Aufl., ISBN 9780470373170, xii, 238
Demonstrates how anyone in math, science, and engineering can master DFT calculationsDensity functional theory (DFT) is one of the most frequently used... 
Quantum chemistry | Density functionals | Mathematical physics | Condensed Matter | Physics | SCIENCE
Book
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 05/2012, Volume 2, Issue 3, pp. 456 - 465
In this paper, we review the foundations of the density‐functional tight‐binding (DFTB) method. The method is based on the density‐functional theory as... 
IMPLEMENTATION | SIMULATIONS | SCC-DFTB METHOD | CHEMISTRY, MULTIDISCIPLINARY | MATHEMATICAL & COMPUTATIONAL BIOLOGY | Binding | Orbitals | Methodology | Matrix methods | Neutral atoms | Density | Electronic structure | Foundations | Mathematical analysis | Theories | Density functional theory | Interactions | Atomic structure
Journal Article
Science, ISSN 0036-8075, 01/2017, Volume 355, Issue 6320, pp. 49 - 49
The theorems at the core of density functional theory (DFT) state that the energy of a many-electron system in its ground state is fully defined by its... 
PARAMETRIZATION | APPROXIMATIONS | THERMOCHEMISTRY | MULTIDISCIPLINARY SCIENCES | EXCHANGE-CORRELATION FUNCTIONALS | Density functionals | Usage | Methods | Chemical research | Density functional theory | Fittings | Accuracy | Theorems | Functionals | Mathematical analysis | Electron density | Density
Journal Article
2012, Oxford graduate texts, ISBN 9780199563029, xiv, 526
Time-dependent density-functional theory (TDDFT) is a quantum mechanical framework which describes the dynamics of interacting electronic many-body systems... 
Density functionals | Mathematical physics | condensed matter physics
Book
by Sim, ES and Yi, GS and Je, MY and Lee, YB and Chung, YC
JOURNAL OF POWER SOURCES, ISSN 0378-7753, 02/2017, Volume 342, pp. 64 - 69
Journal Article
Ecology, ISSN 0012-9658, 12/2010, Volume 91, Issue 12, pp. 3664 - 3674
Journal Article