X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (22269) 22269
Publication (3032) 3032
Dissertation (604) 604
Book Chapter (287) 287
Book / eBook (180) 180
Conference Proceeding (113) 113
Book Review (79) 79
Paper (52) 52
Newspaper Article (28) 28
Report (26) 26
Newsletter (12) 12
Government Document (4) 4
Patent (4) 4
Web Resource (3) 3
Magazine Article (2) 2
Reference (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
physics, atomic, molecular & chemical (13670) 13670
optics (6450) 6450
chemistry, physical (6176) 6176
physics (3036) 3036
chemistry (2059) 2059
index medicus (1899) 1899
chemistry, multidisciplinary (1867) 1867
atoms (1797) 1797
spectroscopy (1520) 1520
molecules (1401) 1401
analysis (1395) 1395
physical chemistry (1330) 1330
dynamics (1208) 1208
electrons (1174) 1174
mathematical analysis (1173) 1173
quantum physics (1167) 1167
atomic, molecular, optical and plasma physics (1132) 1132
density-functional theory (1068) 1068
density functional theory (1067) 1067
organic chemistry (1065) 1065
ab-initio (1063) 1063
quantum theory (1047) 1047
states (1036) 1036
molecular structure (1011) 1011
physics, multidisciplinary (1008) 1008
ionization (1006) 1006
biochemistry & molecular biology (980) 980
energy (964) 964
mathematics, interdisciplinary applications (959) 959
hydrogen (944) 944
models, molecular (937) 937
scattering (922) 922
condensed matter (917) 917
systems (864) 864
theoretical and computational chemistry (862) 862
excitation (859) 859
spectra (847) 847
collisions (793) 793
approximation (774) 774
density (767) 767
wave functions (752) 752
physics, condensed matter (744) 744
computer simulation (732) 732
molecular-dynamics (724) 724
wave-functions (719) 719
model (697) 697
gaussian-basis sets (685) 685
ions (668) 668
molecular dynamics (657) 657
helium (654) 654
electronic-structure (651) 651
biophysics (646) 646
particle and nuclear physics (642) 642
materials science, multidisciplinary (630) 630
quantum information technology, spintronics (624) 624
electronic structure (623) 623
physics, applied (603) 603
basis-sets (587) 587
cross-sections (568) 568
mathematical models (566) 566
excited-states (563) 563
atomic and molecular clusters (550) 550
atomic physics (542) 542
inorganic chemistry (536) 536
computer applications in chemistry (534) 534
energies (532) 532
solid state physics (526) 526
thermodynamics (519) 519
ground-state (509) 509
computer science, interdisciplinary applications (498) 498
quantum gases (496) 496
molecular physics (486) 486
physics - chemical physics (479) 479
molecular medicine (476) 476
models, chemical (473) 473
atomic and molecular physics (468) 468
density functionals (464) 464
coupling (460) 460
quantum chemistry (451) 451
clusters (443) 443
state (437) 437
chemical sciences (436) 436
computer appl. in life sciences (417) 417
hydrogen bonding (415) 415
complexes (414) 414
wavefunctions (412) 412
molecular conformation (408) 408
materials science (407) 407
physics - atomic physics (406) 406
atomic/molecular structure and spectra (405) 405
characterization and evaluation of materials (402) 402
photoionization (400) 400
exchange (391) 391
condensed matter physics (390) 390
derivatives (387) 387
multidisciplinary sciences (385) 385
molecular orbitals (376) 376
quantum mechanics (364) 364
algorithms (355) 355
chemistry, organic (352) 352
more...
Library Location Library Location
Library Location Library Location
X
Sort by Item Count (A-Z)
Filter by Count
Gerstein Science - Stacks (65) 65
UofT at Mississauga - Stacks (23) 23
Collection Dvlpm't (Acquisitions) - Vendor file (19) 19
Chemistry (A D Allen) - Stacks (17) 17
Physics - Stacks (11) 11
Collection Dvlpm't (Acquisitions) - Closed Orders (7) 7
Online Resources - Online (7) 7
UofT at Scarborough - Stacks (7) 7
Engineering & Comp. Sci. - Stacks (5) 5
UTL at Downsview - May be requested (3) 3
Astronomy & Astrophysics - Ask at library (2) 2
University Archives - Archives (2) 2
Gerstein Science - Circulation Desk (1) 1
Gerstein Science - Not Returned (1) 1
Gerstein Science - Theses (1) 1
Physics - Missing (1) 1
Physics - New Books (1) 1
Robarts - Stacks (1) 1
Trinity College (John W Graham) - Stacks (1) 1
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (23402) 23402
German (210) 210
French (191) 191
Japanese (47) 47
Chinese (17) 17
Spanish (10) 10
Czech (5) 5
Russian (5) 5
Arabic (3) 3
Dutch (2) 2
Portuguese (2) 2
Italian (1) 1
Korean (1) 1
Polish (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of Computational Chemistry, ISSN 0192-8651, 02/2012, Volume 33, Issue 5, pp. 580 - 592
Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as... 
wavefunction analysis | real space function | population analysis | orbital composition | electron localization function | MOLECULAR-ORBITAL METHODS | AB-INITIO | CU-Z CLUSTER | ATOMIC CHARGES | CHEMISTRY, MULTIDISCIPLINARY | BOND ENERGIES | LOCALIZABILITY INDICATOR | CHEMICAL-REACTIVITY | NITROUS-OXIDE REDUCTASE
Journal Article
Acta Crystallographica Section A, ISSN 2053-2733, 03/2015, Volume 71, Issue 2, pp. 245 - 249
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2013, Volume 138, Issue 22, p. 224110
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 07/2013, Volume 139, Issue 2, p. 024103
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2020, Volume 41, Issue 3, pp. 184 - 193
Electronic structure calculations representing the molecular orbitals (MOs) with contracted planewave basis functions (CPWBFs) have been reported recently.... 
wavefunction convergence | periodic electronic structure calculations | direct inversion of the iterative subspace | Hartree‐Fock | density functional theory | pseudodiagonalization | contracted planewave basis functions
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 5/2012, Volume 14, Issue 21, pp. 765 - 7614
In this article we provide an overview of the most common ways of treating electron correlation effects in 3D-periodic systems with some emphasize on... 
LOCAL INCREMENTS | PLESSET PERTURBATION-THEORY | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ULTRASOFT PSEUDOPOTENTIALS | CHEMISTRY, PHYSICAL | TOTAL-ENERGY CALCULATIONS | BAND-STRUCTURE | GROUND-STATE PROPERTIES | COHESIVE PROPERTIES | PERIODIC-SYSTEMS | INITIO MOLECULAR-DYNAMICS | Shells | Correlation | Graphene | Strength | Physical chemistry
Journal Article
ChemPhysChem, ISSN 1439-4235, 12/2017, Volume 18, Issue 23, pp. 3334 - 3351
In this work, the quality of the electron density in crystals reconstructed by the multipolar model (MM) and by X‐ray wavefunction refinement (XWR) is tested... 
quantum chemistry | X-ray diffraction | electron density | amino acids | quantum crystallography | L-ALANINE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DIFFRACTION DATA | SUBATOMIC RESOLUTION | DATA-BANK | TOPOLOGICAL ANALYSIS | FREE R-VALUE | EXPERIMENTAL CHARGE-DENSITY | INTERMOLECULAR INTERACTIONS | ELECTRON-DENSITY | Amino acids | Hydrogen | Bonds | Analysis
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 10/2019, Volume 151, Issue 16, p. 160901
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2012, Volume 137, Issue 22, p. 22A530
It was recently shown [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 ( 2010)] that the complete wavefunction for a system of... 
INTENSE LASER FIELDS | DIATOMIC-MOLECULES | HARMONIC-GENERATION | ENERGY | DISSOCIATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | QUANTUM-CLASSICAL DYNAMICS | MULTIPHOTON IONIZATION | SYSTEMS | ENHANCED IONIZATION | GEOMETRIC-PHASE
Journal Article
Nature Physics, ISSN 1745-2473, 06/2009, Volume 5, Issue 6, pp. 412 - 416
Strong-field light-matter interactions can encode the spatial properties of the electronic wavefunctions that contribute to the process. In particular, the... 
PHYSICS, MULTIDISCIPLINARY | HARMONIC-GENERATION | Atoms & subatomic particles | Molecules | Light | Spectrum analysis | Physics
Journal Article