Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions

Rovibrational State

6D quantum mechanical study of H2 diffraction from LiF(001) as a function of the initial rovibrational state and incidence direction.

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

Chemical Physics Letters ◽

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 ◽

Hydrogen Bonded

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

Chemical Physics Letters ◽

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 ◽

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 ◽

A quantum mechanical study of bioactive 3-chloro-2,5-dihydroxybenzyl alcohol through substitutions

Theoretical Chemistry Accounts ◽

10.1007/s00214-011-1040-7 ◽

2011 ◽

Vol 130 (4-6) ◽

pp. 965-979 ◽

Cited By ~ 3

Author(s):

Anoja Pushpamali Wickrama Arachchilage ◽

Yong Wang ◽

Feng Wang

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum-mechanical study of elastic properties of nanoparticles and their agglomeration processes

Nanotechnologies in Russia ◽

10.1134/s1995078008110049 ◽

2008 ◽

Vol 3 (11-12) ◽

pp. 691-696 ◽

Cited By ~ 1

Author(s):

V. G. Zavodinsky

Keyword(s):

Elastic Properties ◽

Quantum Mechanical ◽

Mechanical Study ◽

Crystal structure, quantum mechanical study and spectroscopic studies of nitrate and perchlorate salts of 3-chloroaniline, [C 6 H 7 ClN]NO 3 (I) and [C 6 H 7 ClN]ClO 4 (II)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.02.042 ◽

2017 ◽

Vol 1137 ◽

pp. 373-379 ◽

Cited By ~ 5

Author(s):

I. Bayar ◽

L. Khedhiri ◽

E. Jeanneau ◽

F. Lefebvre ◽

C. Ben Nasr

Keyword(s):

Crystal Structure ◽

Spectroscopic Studies ◽

Quantum Mechanical ◽

Mechanical Study ◽

Full Quantum Mechanical Study of Protonium Formation in Slow Collisions of Antiprotons with Hydrogen Atoms

Physica Scripta ◽

10.1238/physica.topical.110a00271 ◽

2004 ◽

Vol 110 ◽

pp. 271 ◽

Cited By ~ 3

Author(s):

Kazuhiro Sakimoto

Keyword(s):

Quantum Mechanical ◽

Hydrogen Atoms ◽

Mechanical Study ◽

Full Quantum