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

Search Articles

X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
nddo (28) 28
chemistry (27) 27
science & technology (24) 24
physical sciences (22) 22
chemistry, multidisciplinary (10) 10
chemistry, physical (10) 10
physics (10) 10
am1 (9) 9
pm3 (7) 7
technology (7) 7
dft (6) 6
quantum chemistry (6) 6
biochemistry & molecular biology (5) 5
computer appl. in life sciences (5) 5
computer applications in chemistry (5) 5
life sciences & biomedicine (5) 5
molecular medicine (5) 5
physics, atomic, molecular & chemical (5) 5
biophysics (4) 4
characterization and evaluation of materials (4) 4
computer science (4) 4
computer science, interdisciplinary applications (4) 4
linear scaling (4) 4
mathematics (4) 4
mathematics, interdisciplinary applications (4) 4
mndo (4) 4
nddo calculations (4) 4
organic chemistry (4) 4
quantum science & technology (4) 4
theoretical and computational chemistry (4) 4
analysis (3) 3
charge transfer (3) 3
density functional theory (3) 3
exact sciences and technology (3) 3
extended hückel theory (3) 3
integral approximations according to mulliken and rüdenberg (3) 3
methods (3) 3
molecular orbitals (3) 3
nddo approximation (3) 3
neglect of diatomic differential overlap (3) 3
polarizability (3) 3
zero differential overlap (3) 3
adsorption (2) 2
ami (2) 2
ammonia (2) 2
approximation (2) 2
catalysis (2) 2
ccsd (2) 2
chemical reactions (2) 2
computational theory and mathematics (2) 2
computer science applications (2) 2
computer simulation (2) 2
direct dynamics calculation (2) 2
dispersion (2) 2
drug development (2) 2
ecc (2) 2
electron correlation (2) 2
electrons (2) 2
eortc (2) 2
esp charge (2) 2
general and physical chemistry (2) 2
heats of formation (2) 2
inorganic chemistry (2) 2
integrals (2) 2
md simulation (2) 2
mlct excited state (2) 2
models, molecular (2) 2
molecular conformation (2) 2
molecular mechanics (2) 2
molecules (2) 2
nddo method (2) 2
nddo-ssrp method (2) 2
nddo‐ssrp method (2) 2
original paper (2) 2
parameterization (2) 2
peptidomimetics (2) 2
pharmacy (2) 2
physical and theoretical chemistry (2) 2
physics, multidisciplinary (2) 2
plg (2) 2
pm6 (2) 2
qm md (2) 2
qm/mm‐md method (2) 2
quantum theory (2) 2
semiempirical (2) 2
semiempirical methods (2) 2
semiempirical mo method (2) 2
semiempirical mo theory (2) 2
semiempirical nddo and nddo-wf approaches (2) 2
semiempirical nddo and nddo‐wf approaches (2) 2
solids (2) 2
solution chemistry (2) 2
sp- and spd-basis (2) 2
sp‐ and spd‐basis (2) 2
transition metals (2) 2
unrestricted hartree-fock molecular orbitals (2) 2
vfl approximation (2) 2
water - chemistry (2) 2
アンモニア (2) 2
自由エネルギー勾配法 (2) 2
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range