Quantum mechanical study and vibrational spectra of indazolium-3-carboxylate and its decarboxylation product, the N-heterocyclic carbene indazol-3-ylidene

Quantum-mechanical study of energies, structures and vibrational spectra of the HF complexed with dimethyl ether

10.1016/j.cplett.2019.07.018 ◽

2019 ◽

Vol 731 ◽

pp. 136590 ◽

Cited By ~ 1

Author(s):

Łukasz Boda ◽

Marek Boczar ◽

Mateusz Z. Brela ◽

Marek J. Wójcik ◽

Takahito Nakajima

Keyword(s):

Dimethyl Ether ◽

Vibrational Spectra ◽

Quantum Mechanical ◽

Mechanical Study ◽

A quantum mechanical study of the structure, vibrational spectra and relative energetics of XOOI, XIO2 and XOIO (X=Cl, Br, I) isomers

10.1016/s0009-2614(01)01160-5 ◽

2001 ◽

Vol 349 (3-4) ◽

pp. 299-306 ◽

Cited By ~ 10

Author(s):

Demetrios K. Papayannis ◽

Vasilios S. Melissas ◽

Agnie M. Kosmas

Keyword(s):

Vibrational Spectra ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

The Journal of Chemical Physics ◽

10.1063/1.4935805 ◽

2015 ◽

Vol 143 (20) ◽

pp. 204302 ◽

Cited By ~ 1

Author(s):

Łukasz Boda ◽

Marek Boczar ◽

Maciej Gług ◽

Marek J. Wójcik

Keyword(s):

Dimethyl Ether ◽

Vibrational Spectra ◽

Quantum Mechanical ◽

Mechanical Study ◽

A Quantum-mechanical Study of the Binding Pocket of Proteorhodopsin: Absorption and Vibrational Spectra Modulated by Analogue Chromophores

Photochemistry and Photobiology ◽

10.1111/php.12800 ◽

2017 ◽

Vol 93 (6) ◽

pp. 1399-1406 ◽

Cited By ~ 5

Author(s):

Francesco Buda ◽

Tom Keijer ◽

Srividya Ganapathy ◽

Willem J. de Grip

Keyword(s):

Vibrational Spectra ◽

Binding Pocket ◽

Quantum Mechanical ◽

Mechanical Study ◽

QUANTUM-MECHANICAL STUDY OF FRICTION IN NANOCONTACTS

Nanoscience and Technology An International Journal ◽

10.1615/nanoscitechnolintj.v8.i3.60 ◽

2017 ◽

Vol 8 (3) ◽

pp. 231-241

Author(s):

V. G. Zavodinsky ◽

O. I. Kaminsky

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Geometry, tautomerism and non-covalent interaction of the bentiromide with carbon-nanotube and γ-Fe2O3 nanoparticles: A quantum mechanical study

Журнал структурной химии ◽

10.26902/jsc_id38794 ◽

2019 ◽

Vol 60 (1) ◽

Keyword(s):

Carbon Nanotube ◽

Quantum Mechanical ◽

Fe2o3 Nanoparticles ◽

Covalent Interaction ◽

Mechanical Study ◽

Scaled quantum mechanical study of 2,6-difluorophenol: a fluorine-containing weak hydrogen-bonded system

10.1016/s0009-2614(97)00306-0 ◽

1997 ◽

Vol 269 (5-6) ◽

pp. 393-400 ◽

Cited By ~ 12

Author(s):

István Macsári ◽

Vladiszlav Izvekov ◽

Attila Kovács

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Hydrogen Bonded

Quantum mechanical study of potential energy curves of protons in hydrogen bonds of 7-azaindole dimer in the ground and excited states

10.1016/0009-2614(71)80405-0 ◽

1971 ◽

Vol 11 (4) ◽

pp. 539-541 ◽

Cited By ~ 17

Author(s):

V.I. Pechenaya ◽

V.I. Danilov

Keyword(s):

Hydrogen Bonds ◽

Potential Energy ◽

Excited States ◽

Potential Energy Curves ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum mechanical study of bases interactions in various associates in atomic dipole approximation

Journal of Theoretical Biology ◽

10.1016/0022-5193(76)90172-7 ◽

1976 ◽

Vol 59 (2) ◽

pp. 303-318 ◽

Cited By ~ 49

Author(s):

Z.G. Kudritskaya ◽

V.I. Danilov

Keyword(s):

Dipole Approximation ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Atomic Dipole

Catalytic isomerization of 1-pentene to cis-2-pentene over zeolites: A quantum mechanical study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2007.06.019 ◽

2007 ◽

Vol 106 (2-3) ◽

pp. 394-398 ◽

Cited By ~ 3

Author(s):

Yu-Hua Guo ◽

Min Pu ◽

Hua-Feng Li ◽

Ling-Yan Liu ◽

Biao-Hua Chen

Keyword(s):

Quantum Mechanical ◽

Catalytic Isomerization ◽

Mechanical Study ◽