X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
physics, atomic, molecular & chemical (32) 32
chemistry, physical (23) 23
hydrogen bonding (17) 17
hydrogen bond (9) 9
analysis (8) 8
blue shift (8) 8
hydrogen (8) 8
hydrogen-bonds (7) 7
ab-initio (6) 6
halogen bond (6) 6
index medicus (6) 6
models (6) 6
argon compound (5) 5
chemistry (5) 5
bond (4) 4
bonds (4) 4
complexes (4) 4
harf (4) 4
rare-gas (4) 4
rare-gas compound (4) 4
spectroscopy (4) 4
σ-hole (4) 4
beryllium (3) 3
cooperativity (3) 3
elektronegativität (3) 3
halogen bonds (3) 3
harmonic vibrational frequencies (3) 3
hydrogen-bond (3) 3
improper (3) 3
k uh physics, atomic, molecular & chemical (3) 3
lewis base (3) 3
lithium bond (3) 3
mathematical analysis (3) 3
models, molecular (3) 3
molecules (3) 3
nitrogen (3) 3
novel species (3) 3
organic chemistry (3) 3
perturbation theory (3) 3
relative stability (3) 3
rotational spectrum (3) 3
thermodynamics (3) 3
vibrational frequencies (3) 3
wasserstoffbrückenbindung (3) 3
1st 3 orders (2) 2
ab initio (2) 2
amino acids (2) 2
anharmonic constant (2) 2
atomic charges (2) 2
atoms (2) 2
beryllium - chemistry (2) 2
beryllium bond (2) 2
beryllium compound (2) 2
bonding (2) 2
cationic attachment (2) 2
center-dot-n (2) 2
charge-density (2) 2
charge-transfer molecules (2) 2
chemical bonds (2) 2
chemistry, multidisciplinary (2) 2
chemistry, organic (2) 2
chemistry, physical and theoretical (2) 2
clusters (2) 2
coaction (2) 2
computation (2) 2
computer simulation (2) 2
cyclohexane (2) 2
di (2) 2
dihydrogen bond (2) 2
dipole moment (2) 2
education, scientific disciplines (2) 2
electron density transfer (2) 2
electronegative substituents (2) 2
electronegativity (2) 2
electrostatic interaction (2) 2
electrostatic interactions (2) 2
elektronendichte (2) 2
energetic stability (2) 2
energies (2) 2
exchange (2) 2
formaldehyd (2) 2
formaldehyde (2) 2
gas-phase (2) 2
halogen bonding (2) 2
halogene (2) 2
harf-center-dot-center-dot-center-dot-n-2 (2) 2
harmonic blue shift (2) 2
hcl (2) 2
helium (2) 2
hkrf (2) 2
humans (2) 2
hydrogen bonds (2) 2
hydrogen compounds (2) 2
hydrogen-bonded complexes (2) 2
infra-red spectroscopy (2) 2
infrared intensity (2) 2
isotope (2) 2
lewis-base (2) 2
lithium bonding (2) 2
long-range interactions (2) 2
more...
Library Location Library Location
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Chemical Physics Letters, ISSN 0009-2614, 06/2019, Volume 724, p. 110
Highlights An MP2/6-311++G(3df,3pd) computational study of the model complexes XH...WZ (X = F, Cl, Br, FAr, FKr, NC, FCC; WZ = CO, FH, N.sub.2), which involve... 
Hydrogen | Bonds | Analysis | Hydrogen bonding
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2018, Volume 708, pp. 17 - 20
Model complexes FLi⋯CH X⋯F (X = Cl, Br, H) and FLi⋯Kr⋯F , with a linear orientation of the F-Li, C X and F molecular axes, were predicted to be energetically... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2018, Volume 708, p. 17
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.cplett.2018.07.059 Model... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 03/2018, Volume 696, pp. 61 - 66
Optimized geometry of the hydrogen-bonded complex of tricyanomethane and boron fluoride. The related trifluoromethane molecule usually forms prototypical... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 03/2018, Volume 696, p. 61
An MP2/6-311++G(3df,3pd) computational study of a series of hydrogen-bonded complexes X.sub.3CH[midline horizontal ellipsis]YZ (X = Cl, F, NC; YZ = FLi, BF,... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2019, Volume 724, pp. 110 - 114
An MP2/6-311++G(3df,3pd) computational study of the model complexes XH…WZ (X = F, Cl, Br, FAr, FKr, NC, FCC; WZ = CO, FH, N ), which involve both red- and... 
IMPROPER | DONOR | AB-INITIO | X3CH-CENTER-DOT-CENTER-DOT-CENTER-DOT-YZ X | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | KRYPTON | NONCOVALENT INTERACTIONS | NOBLE-GAS MOLECULES | HARF | HKRCCH
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2016, Volume 658, pp. 12 - 19
A computational study of hydrogen-, halogen-, lithium- and beryllium-bonded interactions in model H P⋯YZ (YZ = HF, ClF, LiF, BeH ) complexes involving the... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2016, Volume 658, p. 12
Display Omitted 
Models | Hydrogen | Bonds | Analysis
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 27, pp. 18420 - 18428
A computational study of F−⋯(CH3)2X⋯YF (X = O, S, Se; Y = F, H) triads, with F− bound to the protons of the two methyl groups, found significant enhancement of... 
Chemical bonds | Clusters | Anions | Electronegativity | Lewis base | Molecular chains
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 04/2014, Volume 598, pp. 1 - 4
A computational study of anionic complexes of general formula [F X⋯CH ⋯Y F] (X, Y = Cl, Br) predicted minimum energy structures with unusual bonding features.... 
CHEMISTRY, PHYSICAL | BOND | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 04/2014, Volume 598, p. 1
Display Omitted 
Surface active agents
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 04/2017, Volume 674, pp. 146 - 150
An MP2 computational study of model hydrogen-bonded pyrrole⋯YZ (YZ = NH , NCH, BF, CO, N , OC, FB) complexes was undertaken in order to examine the variation... 
SPECTROSCOPY | BLUE | IMPROPER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ATOMS | HARDNESS | ENERGIES | Hydrogen | Thiophene | Models | Hardness | Hydrogen bonding | Analysis
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 11/2016, Volume 665, pp. 105 - 110
A computational study of two model clusters involving the all- 1,2,3-trifluorocyclopropane (F C H ) and the all- 1,2,3,4-tetrafluorocyclobutane (F C H )... 
GAS-PHASE | CHEMISTRY, PHYSICAL | CYCLOHEXANE | MOLECULE INTERACTIONS | 1,2,3,4,5,6-HEXAFLUOROCYCLOHEXANE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 05/2015, Volume 630, pp. 91 - 95
Model beryllium-bonded complexes of oxirane and BeX 2 (X = H, Cl) were optimized at MP2/6-311++G(d,p). The strength of the O⋯Be interaction was modified by... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2015, Volume 630, p. 91
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 05/2016, Volume 1084, pp. 150 - 156
An MP2/6-311++G(2d,2p) computational study of the beryllium-bonded dimers formed between FNgH/FKrCl noble-gas molecules and the BeH molecule predicted... 
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 05/2017, Volume 1108, pp. 18 - 22
A computational study of strongly-bound triad clusters involving the all-cis 1,2,3,4,5,6-hexafluorocyclohexane molecule (F C H ) sandwiched between... 
GAS-PHASE | CHEMISTRY, PHYSICAL | CYCLOHEXANE | MOLECULE INTERACTIONS
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 05/2016, Volume 1084, pp. 150 - 156
An MP2/6-311++G(2d,2p) computational study of the beryllium-bonded dimers formed between FNgH/FKrCl noble-gas molecules and the BeH molecule predicted... 
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 05/2016, Volume 1084, p. 150
Display Omitted 
Models | Bonds | Analysis | Beryllium
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.