Articles

UofT Libraries is getting a new library services platform in January 2021.
Learn more about the change.

Search Articles

Advanced search
Help

Catalogue

Articles

Databases

X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (7501) 7501
Book Chapter (365) 365
Conference Proceeding (170) 170
Book / eBook (132) 132
Dissertation (30) 30
Publication (26) 26
Reference (13) 13
Government Document (11) 11
Web Resource (9) 9
Magazine Article (6) 6
Newspaper Article (2) 2
Report (2) 2
Paper (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
molecular orbitals (5909) 5909
science & technology (4849) 4849
physical sciences (4418) 4418
chemistry (4035) 4035
density functional theory (2392) 2392
physics (2185) 2185
chemistry, physical (2011) 2011
mathematical analysis (1374) 1374
chemistry, multidisciplinary (1359) 1359
analysis (1190) 1190
physics, atomic, molecular & chemical (1158) 1158
technology (1102) 1102
organic chemistry (1001) 1001
electrons (918) 918
molecular structure (877) 877
electronic structure (792) 792
materials science (768) 768
energy gap (766) 766
density functionals (695) 695
charge transfer (678) 678
chemical bonds (641) 641
research (623) 623
materials science, multidisciplinary (582) 582
molecular orbital method (581) 581
quantum chemistry (566) 566
exact sciences and technology (535) 535
optical properties (488) 488
energy levels (472) 472
ligands (458) 458
molecules (446) 446
dichtefunktionaltheorie (445) 445
physics, applied (436) 436
solar cells (429) 429
photovoltaic cells (428) 428
quantum theory (427) 427
physical chemistry (422) 422
dft (408) 408
life sciences & biomedicine (399) 399
absorption spectra (379) 379
time dependence (376) 376
atomic and molecular physics (373) 373
adsorption (371) 371
mathematical models (371) 371
chemical properties (362) 362
clusters (362) 362
physics, condensed matter (355) 355
fluorescence (348) 348
energy (336) 336
hydrogen (332) 332
crystallography (328) 328
science & technology - other topics (325) 325
derivatives (316) 316
spectroscopy (316) 316
crystal structure (314) 314
elektron (302) 302
nuclear magnetic resonance--nmr (302) 302
chemistry, inorganic & nuclear (301) 301
inorganic, organic, physical and analytical chemistry (289) 289
spectrum analysis (289) 289
biochemistry & molecular biology (287) 287
hydrogen bonding (282) 282
coordination compounds (278) 278
orbitals (277) 277
dipole moments (268) 268
molecular orbital (267) 267
coupling (260) 260
usage (258) 258
dyes (256) 256
hydrogen bonds (256) 256
chemical reactions (253) 253
density-functional-theory (253) 253
chemical synthesis (252) 252
theoretical and computational chemistry (252) 252
inorganic chemistry (251) 251
electronic properties (248) 248
electron density (246) 246
polymers (244) 244
structure (244) 244
catalysis (239) 239
computer simulation (237) 237
quantum mechanics (237) 237
excitation (235) 235
carbon (231) 231
ionization (228) 228
electronics (225) 225
chemistry, organic (220) 220
electron transfer (215) 215
molecular orbital theory (214) 214
models, molecular (213) 213
nanoscience & nanotechnology (209) 209
solvents (209) 209
binding energy (206) 206
organic compounds (206) 206
potential energy (205) 205
spectra (205) 205
bonding (204) 204
oxidation (203) 203
absorption (202) 202
fullerenes (200) 200
molecular chains (199) 199
more...
Library Location Library Location
Library Location Library Location
X
Sort by Item Count (A-Z)
Filter by Count
Gerstein Science - Stacks (70) 70
Chemistry (A D Allen) - Stacks (25) 25
UofT at Mississauga - Stacks (25) 25
UTL at Downsview - May be requested (12) 12
Online Resources - Online (11) 11
UofT at Scarborough - Stacks (10) 10
Physics - Stacks (6) 6
Chemistry (A D Allen) - In transit (2) 2
Collection Dvlpm't (Acquisitions) - Closed Orders (2) 2
Collection Dvlpm't (Acquisitions) - Vendor file (2) 2
Gerstein Science - Circulation Desk (1) 1
Gerstein Science - Missing (1) 1
Gerstein Science - Not Returned (1) 1
Gerstein Science - Theses (1) 1
St. Michael's College (John M. Kelly) - Circulation Desk (1) 1
University Archives - Archives (1) 1
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (8201) 8201
Japanese (99) 99
Chinese (53) 53
German (51) 51
French (39) 39
Russian (28) 28
Portuguese (10) 10
Spanish (7) 7
Ukrainian (6) 6
Arabic (1) 1
Croatian (1) 1
Czech (1) 1
Dutch (1) 1
Indonesian (1) 1
Korean (1) 1
Norwegian (1) 1
Polish (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


1. Ab initio molecular orbital theory
by Hehre, Warren J
1986, ISBN 0471812412, xviii, 548
Quantum chemistry | Molecular orbitals | Science | Atomic | Molecular physics | Molecular | Physics
Book
Details down arrow
2. Full Text Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives
by Weinhold, Frank
Journal of computational chemistry, ISSN 0192-8651, 11/2012, Volume 33, Issue 30, pp. 2363 - 2379
chemical bonding interactions | valence bond theory | QTAIM theory | molecular orbital theory | NBO theory | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Analytical chemistry | Chemical bonds | Molecules | Quantum theory
Journal Article
Details down arrow
Digital rights down arrow
loading Loading Rights
3. Full Text What is semiempirical molecular orbital theory approximating?
by Margraf, Johannes T and Dral, Pavlo O
Journal of molecular modeling, ISSN 1610-2940, 5/2019, Volume 25, Issue 5, pp. 1 - 12
Theoretical and Computational Chemistry | Chemistry | NDDO | OM2 | Semiempirical molecular orbital theory | MNDO | Characterization and Evaluation of Materials | Correlated orbital theory | Molecular Medicine | Electron correlation | Computer Applications in Chemistry | Computer Appl. in Life Sciences | Biochemistry & Molecular Biology | Physical Sciences | Computer Science, Interdisciplinary Applications | Life Sciences & Biomedicine | Technology | Computer Science | Biophysics | Chemistry, Multidisciplinary | Science & Technology | Density functionals | Analysis | Organic chemistry | Molecular orbitals | Density functional theory | Quantum chemistry | Correlation analysis | Numerical methods
Journal Article
Details down arrow
Digital rights down arrow
loading Loading Rights
4. Full Text The activation strain model and molecular orbital theory
by Wolters, L.P and Bickelhaupt, F.M
Wiley interdisciplinary reviews. Computational molecular science, ISSN 1759-0876, 2015, Volume 5, Issue 4, pp. 324 - 343
Physical Sciences | Chemistry | Life Sciences & Biomedicine | Chemistry, Multidisciplinary | Science & Technology | Mathematical & Computational Biology | Methodology | Energy | Molecular structure | Barriers | Molecular orbitals | Activation | Interactions | Rigidity | Reaction mechanisms | Framework | Strain | Advanced Review
Journal Article
Details down arrow
Digital rights down arrow
loading Loading Rights
5. Full Text Dinuclear gold (I)‐di‐N‐heterocyclic carbene complexes: syntheses, structure, density functional theory calculation and photoluminescence study
by Haziz, Umie F.M and Haque, Rosenani A and Zhan, Shun‐Ze and Abdallah, Hassan H and Razali, Mohd R
Applied organometallic chemistry, ISSN 0268-2605, 10/2020, Volume 34, Issue 10, p. n/a
trans‐metalation | N‐heterocyclic carbene, gold (I)‐NHC | photoluminescence | molecular orbital | density functional theory | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Chemistry, Applied | Science & Technology | Density functionals | Chemical properties | Specific gravity | Heterocyclic compounds | Photoluminescence | Gold | Complexation | Fourier transforms | Chemical analysis | Nuclear magnetic resonance--NMR | Emission | X-ray diffraction | Displays | Infrared analysis | Carbon | Ethane | Single crystals | Solid state | Silver | Synthesis | Ligands | Density functional theory | Excitation | Room temperature | Crystal structure
Journal Article
Details down arrow
Digital rights down arrow
loading Loading Rights
6. Full Text Conceptual, Qualitative, and Quantitative Theories of 1,3‐Dipolar and Diels–Alder Cycloadditions Used in Synthesis
by Ess, Daniel H and Jones, Gavin O and Houk, K. N
Advanced synthesis & catalysis, ISSN 1615-4150, 11/2006, Volume 348, Issue 16‐17, pp. 2337 - 2361
conceptual density functional theory | 1,3‐dipolar cycloadditions | hard and soft acid and base theory | configuration mixing | Diels–Alder cycloadditions | frontier molecular orbital theory | Conceptual density functional theory | Diels-Alder cycloadditions | 1,3-dipolar cycloadditions | Frontier molecular orbital theory | Configuration mixing | Hard and soft acid and base theory | Physical Sciences | Chemistry | Chemistry, Organic | Chemistry, Applied | Science & Technology
Journal Article
Details down arrow
Digital rights down arrow
loading Loading Rights