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Molecular Physics, ISSN 0026-8976, 11/2017, Volume 115, Issue 21-22, pp. 2637 - 2648
The 1:1 dimer of borazine-acetylene has been studied for the first time, both experimentally and computationally. The borazine-acetylene dimer was trapped in... 
matrix isolation infrared spectroscopy | hydrogen bonded interaction | Borazine | π-stacked interaction | acetylene | HYDROGEN-BONDED COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BORON-NITRIDE | pi-stacked interaction | CENTER-DOT-PI | WATER
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 05/2017, Volume 121, Issue 18, pp. 3383 - 3391
The homodirners of singly fluorine-substituted phenylacetylenes Were investigated :using electronic and vibrational spectroscopic methods in combination with... 
DENSITY FUNCTIONALS | BENZENE DIMER | HYDROGEN-BONDED COMPLEXES | AROMATIC-AROMATIC INTERACTION | MOLECULAR RECOGNITION | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | CHEMISTRY, PHYSICAL | BIOLOGICAL RECOGNITION | ADAPTED PERTURBATION-THEORY | CARBON NANOTUBES | Dipole moments | Chemical properties | Research | Acetylene
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 12/2006, Volume 128, Issue 51, pp. 17126 - 17131
In this report, we describe rotational spectroscopic and high-level ab initio studies of the 1:1 chiral molecular adduct of propylene oxide dimer. The... 
DER-WAALS COMPLEXES | HYDROGEN-BONDED COMPLEXES | CENTER-DOT-O | AB-INITIO | JET | ROTATIONAL SPECTRUM | MICROWAVE-SPECTRUM | ENANTIOMERIC DISCRIMINATION | CHEMISTRY, MULTIDISCIPLINARY | INTERNAL BARRIER | MOLECULES | Propylene oxide | Chemical properties | Structure | Hydrogen bonding
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 08/2013, Volume 112, pp. 182 - 190
Ethyl-4-[2-(thiocarbamoyl)hydrazinylidene]-3,5-dimethyl-1 -pyrrole-2-carboxylate has been synthesized and characterized by H NMR, C NMR, UV–Vis, FT-IR and Mass... 
Hydrogen bonded dimer | Multiple interactions | Global electronic descriptor | AIM calculation | TD-DFT | NBO analysis | CRYSTAL-STRUCTURE | BEHAVIOR | COMPLEXES | PATTERNS | BENZALDEHYDE | SPECTROSCOPY | GROWTH | ANTIMALARIAL ACTIVITY | CHEMICAL-REACTIVITY | 3-THIOPHENE ALDEHYDE THIOSEMICARBAZONE | SEMICARBAZONE | Analysis | Thiophene
Journal Article
DALTON TRANSACTIONS, ISSN 1477-9226, 01/2018, Volume 47, Issue 4, pp. 1122 - 1130
Herein, two new octahedral molybdenum cyanide cluster compounds, namely [{Ni(NH3)(6)}(4){Ni-2(NH3)(8)}(1)] [Mo(6)Br(6)Q(2)(CN)(6)](3)center dot 12H(2)O, Q = S... 
DENSITY | TRANSITION-METAL DIMERS | CRYSTAL-STRUCTURE | DINUCLEAR COMPLEX | NONCOVALENT INTERACTIONS | REQ Q | COORDINATION POLYMERS | EXCHANGE | MAIN-GROUP THERMOCHEMISTRY | HYDROGEN-BONDED BRIDGES | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 09/1999, Volume 103, Issue 37, pp. 7419 - 7431
The dynamics of double proton transfer in 7-azaindole (7-AI) dimers, a model DNA base pair, are investigated in real time using femtosecond transient... 
MOLECULAR-DYNAMICS | HYDROGEN-BONDED COMPLEXES | CLUSTERS | FLUORESCENCE | TEMPERATURE | AMMONIA | BEHAVIOR | ELECTRONIC-SPECTRA | CHEMISTRY, PHYSICAL | EXCITED-STATES | WATER | Protons | Research
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2006, Volume 110, Issue 51, pp. 13775 - 13785
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 05/2018, Volume 122, Issue 21, pp. 4902 - 4908
Even though (H2O)(2) and (HF)(2) are arguably the most thoroughly characterized prototypes for hydrogen bonding, their heterogeneous analogue H2O center dot... 
PERTURBATION-THEORY | WATER DIMER | SPECTROSCOPIC INVESTIGATIONS | MICROWAVE ROTATIONAL SPECTRUM | ELECTRIC-DIPOLE MOMENT | HYDROGEN-BONDED DIMERS | TRANSITION FREQUENCIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | CHEMISTRY, PHYSICAL | VIBRATIONAL PREDISSOCIATION | INFRARED INTENSITIES
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 01/2012, Volume 112, Issue 2, pp. 519 - 531
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 11/2011, Volume 115, Issue 44, pp. 12097 - 12104
Journal Article
CrystEngComm, ISSN 1466-8033, 2015, Volume 17, Issue 12, pp. 2553 - 2561
The role of thioureas in crystal engineering as robust supramolecular synthons is now recognized, but their analogs, namely... 
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 11/2006, Volume 45, Issue 23, pp. 9233 - 9244
For the expansion of a rectangular cavity (RC) defined by two isonicotinic acid (isoH) dimers as bridging ligands and two SCN bridges, we conducted a... 
POLYMERS | DESIGN | LIGANDS | SUPRAMOLECULAR ASSEMBLIES | FUNCTIONALITY | COMPLEXES | CRYSTALS | HYDROGEN-BONDED NETWORKS | INCLUSION | POROUS SOLIDS | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
ChemPhysChem, ISSN 1439-4235, 12/2018, Volume 19, Issue 23, pp. 3257 - 3265
Journal Article