X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (513) 513
Paper (146) 146
Publication (118) 118
Patent (96) 96
Report (32) 32
Book / eBook (19) 19
Newspaper Article (7) 7
Book Chapter (5) 5
Conference Proceeding (4) 4
Data Set (4) 4
Book Review (2) 2
Dissertation (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
experiment (158) 158
particle physics (146) 146
humans (136) 136
high energy physics - experiment (135) 135
index medicus (135) 135
physics (135) 135
physics - high energy physics - experiment (134) 134
hep (127) 127
high energy physics (97) 97
cern lhc coll (96) 96
chemistry (93) 93
experimental results (86) 86
male (86) 86
metallurgy (86) 86
female (82) 82
microbiology (81) 81
p p: scattering (80) 80
13000 gev-cms (76) 76
biochemistry (76) 76
enzymology (75) 75
p p: colliding beams (75) 75
beer (73) 73
mutation or genetic engineering (73) 73
spirits (73) 73
vinegar (73) 73
wine (73) 73
ex (72) 72
compositions thereof (70) 70
culture media (70) 70
microorganisms or enzymes (70) 70
propagating, preserving or maintaining microorganisms (70) 70
phenomenology (68) 68
animals (64) 64
peptides (59) 59
organic chemistry (56) 56
[phys.hexp]physics [physics]/high energy physics - experiment [hep-ex] (53) 53
middle aged (52) 52
adult (50) 50
analysis (49) 49
medical and health sciences (49) 49
medicin och hälsovetenskap (49) 49
fermentation or enzyme-using processes to synthesise a desiredchemical compound or composition or to separate optical isomersfrom a racemic mixture (42) 42
subatomic physics (41) 41
subatomär fysik (41) 41
nuclear experiment (40) 40
general tagging of cross-sectional technologies spanning over several sections of the ipc (39) 39
general tagging of new technological developments (39) 39
technical subjects covered by former uspc cross-reference art collections [xracs] and digests (39) 39
technologies or applications for mitigation or adaptation againstclimate change (38) 38
physics of elementary particles and fields (37) 37
medicine (35) 35
natural sciences (34) 34
naturvetenskap (34) 34
technologies for adaptation to climate change (34) 34
aged (33) 33
background (32) 32
research (31) 31
physical sciences (30) 30
mice (27) 27
fysik (26) 26
hadron-hadron scattering (23) 23
hep-ex (23) 23
oncology (23) 23
particle physics - experiment (23) 23
compositions or test papers therefor (22) 22
condition-responsive control in microbiological orenzymological processes (22) 22
measuring or testing processes involving enzymes, nucleicacids or microorganisms (22) 22
processes of preparing such compositions (22) 22
risk factors (22) 22
adolescent (21) 21
cancer (21) 21
mass dependence (21) 21
medicin (21) 21
channel cross section: branching ratio: upper limit (20) 20
astrophysics (19) 19
atlas (19) 19
care and treatment (19) 19
cell biology (19) 19
immunology (19) 19
research article (19) 19
biochemistry & molecular biology (18) 18
bottom: particle identification (18) 18
young adult (18) 18
chemistry, physical (17) 17
prospective studies (17) 17
surgery (17) 17
channel cross section: upper limit (16) 16
studies (16) 16
article (15) 15
enzymes (15) 15
expression (15) 15
hematology (15) 15
jet: bottom (15) 15
mass spectrum: (15) 15
neurosciences (15) 15
physics, particles & fields (15) 15
physiology (15) 15
z0: leptonic decay (15) 15
[ phys.hexp ] physics [physics]/high energy physics - experiment [hep-ex] (14) 14
aged, 80 and over (14) 14
more...
Library Location Library Location
Library Location Library Location
X
Sort by Item Count (A-Z)
Filter by Count
Gerstein Science - Stacks (9) 9
Robarts - Stacks (5) 5
Collection Dvlpm't (Acquisitions) - Vendor file (3) 3
UTL at Downsview - May be requested (3) 3
UofT at Mississauga - Stacks (2) 2
Chemistry (A D Allen) - Stacks (1) 1
Collection Dvlpm't (Acquisitions) - Closed Orders (1) 1
Engineering & Comp. Sci. - Stacks (1) 1
Music - Stacks (1) 1
Physics - Stacks (1) 1
Robarts - Course Reserves (1) 1
Royal Ontario Museum - Stacks (1) 1
Trillium Health Centre - Stacks (1) 1
UofT at Scarborough - Stacks (1) 1
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (648) 648
German (48) 48
French (47) 47
Chinese (7) 7
Spanish (7) 7
Portuguese (6) 6
Norwegian (2) 2
Swedish (2) 2
Danish (1) 1
Hungarian (1) 1
Korean (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


The Journal of Chemical Physics, ISSN 0021-9606, 12/2016, Volume 145, Issue 23, p. 234107
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2016, Volume 145, Issue 23
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2018, Volume 148, Issue 24, p. 241704
We study how with means of Gaussian Process Regression (GPR) geometry optimizations, which rely on numerical gradients, can be accelerated. The GPR... 
CHEMISTRY | CHEMISTRY, PHYSICAL | POTENTIAL-ENERGY SURFACES | RESOLUTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PREDICTION
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2018, Volume 701, pp. 7 - 14
The resolution-of-the-identity approximation (RI) is a standard tool to accelerate the evaluation of two electron repulsion integrals. However introducing... 
INTEGRALS | CORRELATED MOLECULAR CALCULATIONS | APPROXIMATIONS | PLESSET PERTURBATION-THEORY | RESOLUTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | WORKSTATION COMPUTERS | CHEMISTRY, PHYSICAL | ELECTRONIC-STRUCTURE CALCULATIONS | GAUSSIAN-BASIS SETS | PROGRAM | Analysis | Algorithms
Journal Article
World Journal of Urology, ISSN 0724-4983, 06/2007, Volume 25, Issue 3, pp. 285 - 295
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2017, Volume 13, Issue 8, pp. 3602 - 3613
We asses the basis set convergence of harmonic frequencies using different explicitly correlated wave function based methods. All commonly available CCSD­(T)... 
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SCALE FACTORS | CHEMISTRY, PHYSICAL | HARMONIC VIBRATIONAL FREQUENCIES | BASIS-SETS | ABSORPTION | SPECTRUM | POTENTIAL-ENERGY-SURFACES | 2ND-ORDER PERTURBATION-THEORY | COUPLED-CLUSTER CALCULATIONS | ANHARMONIC-FORCE FIELD | MOLECULES
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, pp. 2623 - 2633
In recent years PNO-based local correlation methods have gained popularity since they allow Coupled Cluster (CC) calculations with reduced computational costs,... 
DENSITY | PAIR NATURAL ORBITALS | AUXILIARY BASIS-SETS | WATER CLUSTERS | ORBITAL COUPLED-CLUSTER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BINDING-ENERGIES | POTENTIALS | TRIPLES CORRECTION | ELECTRON CORRELATION METHODS | LARGE MOLECULAR-SYSTEMS
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2019, Volume 150, Issue 13, p. 131102
We present a new efficient approach for potential energy surface construction. The algorithm employs the n-mode representation and combines an adaptive density... 
CHEMISTRY | CHEMISTRY, PHYSICAL | ENERGY SURFACES | CODE | OPTIMIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Potential energy | Couplings | Electronic structure | Gaussian process | Algorithms | Approximation | Adaptive sampling | Regression | Density | Relativistic effects
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2017, Volume 13, Issue 8, p. 3602
We asses the basis set convergence of harmonic frequencies using different explicitly correlated wave function based methods. All commonly available CCSD(T)... 
Potential energy | Accuracy | Scaling | Anharmonicity | Atomizing | Convergence
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 24, p. 244113
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, p. 2623
In recent years PNO-based local correlation methods have gained popularity since they allow Coupled Cluster (CC) calculations with reduced computational costs,... 
Accuracy | Correlation | Control methods | Molecular interactions | Benchmarks | Molecular chains
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2014, Volume 16, Issue 40, pp. 22167 - 22178
We present our current progress on the combination of explicit electron correlation with the pair natural orbital (PNO) representation. In particular we show... 
WAVE-FUNCTION | MP2-R12 CALCULATIONS | PLESSET PERTURBATION-THEORY | CONSISTENT BASIS-SETS | RESOLUTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COUPLED-CLUSTER METHODS | CHEMISTRY, PHYSICAL | ATOMS | ORBITALS | ELECTRON CORRELATION METHODS | CORE-VALENCE
Journal Article
Molecular Physics, ISSN 0026-8976, 02/2017, Volume 115, Issue 3, pp. 343 - 356
A preliminary implementation of a gradient for MP2 based on the pair natural orbital approximation (PNO-MP2) is presented. The accuracy of the PNO... 
PNO-MP2 gradient | accuracy | Local MP2 | geometry optimisations | PNO–MP2 gradient | Geometry | Potential energy | Errors | Approximation | Thresholds | Mathematical analysis | Chemical bonds | Optimization | Convergence
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2017, Volume 146, Issue 13, p. 134112
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 12/2017, Volume 13, Issue 12, pp. 6023 - 6042
In this work, we present a new pair natural orbitals (PNO)-based incremental scheme to calculate CCSD­(T) and CCSD­(T0) reaction, interaction, and binding... 
BETHE-GOLDSTONE EQUATIONS | PNO-CI | PERTURBATION-THEORY | CONFIGURATION-INTERACTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPEN-SHELL SYSTEMS | CORRELATION-ENERGY | CHEMISTRY, PHYSICAL | SCALING COUPLED-CLUSTER | ZETA-VALENCE QUALITY | ELECTRON CORRELATION METHODS | GAUSSIAN-BASIS SETS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2014, Volume 16, Issue 40, pp. 22167 - 22178
We present our current progress on the combination of explicit electron correlation with the pair natural orbital (PNO) representation. In particular we show... 
Orbitals | Correlation | Algorithms | Clusters | Eigenvectors | Mathematical models | Representations | Estimates
Journal Article
Molecular Physics, ISSN 0026-8976, 09/2013, Volume 111, Issue 16-17, pp. 2463 - 2476
Journal Article