Filter by: Subject
Login
UPSpace Home
→
Natural and Agricultural Sciences
→
Chemistry
→
Research Articles (Chemistry)
→
Filter by: Subject
JavaScript is disabled for your browser. Some features of this site may not work without it.
Filter by: Subject
Results Per Page:
5
10
20
40
60
80
100
Now showing items 1-80
Quantum theory of atoms in molecules (QTAIM) (9)
Density functional theory (DFT) (6)
Hydrogen bond (3)
Natural bond orbital (NBO) (3)
Fischer carbene (2)
Interacting quantum atoms (IQA) (2)
Molybdenum (2)
Atomic interaction line (AIL) (1)
Bipyridyl (1)
Bond critical points (BCP) (1)
Bond path (1)
Bond paths (1)
Carbapenems (1)
Carbonyl compounds (1)
Cell wall (1)
Charge density (1)
Chemical bonding (1)
Chromium (1)
CH–HC interaction (1)
CH–N bond (1)
CH–O bond (1)
Complexes (1)
Computational chemistry (1)
Crystal structures (1)
Deformation density (1)
Derivatives (1)
DFT (1)
Dimers (1)
Effective core potential (1)
Electron delocalization (1)
Electron density (1)
Electron density (ED) (1)
Electron density decomposition (1)
Energy partitioning (1)
Ethoxycarbene complexes (1)
Exchange (1)
Extended transition state coupled with natural orbitals for chemical valence (ETS-NOCV) (1)
Fragment, atomic, localized, delocalized and interatomic (FALDI) (1)
F···F non-covalent interactions (1)
Generalized-gradient-approximation (1)
Geometry optimization (1)
Inactivation (1)
Intermolecular interactions (1)
Iodide oxidative addition (1)
Jahn–teller distortion (1)
L,D-transpeptidase 2 (LdtMt2) (1)
Linear aliphatic polyamines (1)
Linear polyamines (1)
Localization (1)
Manganese(III) (1)
Meropenem (1)
Methyl iodide (1)
Molecular calculation (1)
Multicenter interaction (1)
Mycobacterium tuberculosis (MTB) (1)
Natural bonding orbital (NBO) (1)
NBO analysis (1)
Non-covalent interaction-based (NCI) (1)
Non-covalent interactions (NCI) (1)
Noncovalent interactions (NCI) (1)
Our own N-layered integrated molecular orbital and molecular mechanics (ONIOM) (1)
Peptidoglycan (1)
Protonation sequence (1)
Reaction product (1)
Rhodium (1)
Spectra (1)
Structural preferences (1)
Structure (1)
Thienyl unit (1)
Topological preferences (1)
Trien (1)
Triphenylstibine (1)
Tuberculosis (TB) (1)
Tungsten (1)
Weak hydrogen bonds (1)
X-ray crystal structures (1)
X-ray photoelectron spectroscopy (XPS) (1)
XPS measurements (1)
Zinc (1)
β-diketone (1)
Now showing items 1-80
Search UPSpace
Search UPSpace
This Collection
Browse
All of UPSpace
Communities & Collections
Issue Date
Authors
Titles
Subjects
Supervisor
UP Author
UP Postgraduate
Type
This Collection
Issue Date
Authors
Titles
Subjects
Supervisor
UP Author
UP Postgraduate
Type
My Account
Login
Register
UPSpace Workspace