Molecular Conformation in Organic Films from Quantum Chemistry ab Initio Calculations and Second Harmonic Spectroscopy

Roberto Macovez; Nuria Lopez; Marina Mariano; Marc Maymò; Jordi Martorell

doi:10.1021/jp3075018

Molecular Conformation in Organic Films from Quantum Chemistry ab Initio Calculations and Second Harmonic Spectroscopy

The Journal of Physical Chemistry C ◽

10.1021/jp3075018 ◽

2012 ◽

Vol 116 (51) ◽

pp. 26784-26790 ◽

Cited By ~ 5

Author(s):

Roberto Macovez ◽

Nuria Lopez ◽

Marina Mariano ◽

Marc Maymò ◽

Jordi Martorell

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Conformation ◽

Second Harmonic ◽

Organic Films

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Quantitative Studies on the Structure of Molten Binary Potassium Molybdates by in Situ Raman Spectroscopy and Quantum Chemistry ab Initio Calculations

Analytical Chemistry ◽

10.1021/acs.analchem.8b01470 ◽

2018 ◽

Vol 90 (15) ◽

pp. 9085-9092 ◽

Cited By ~ 3

Author(s):

Min Wang ◽

Patrick Simon ◽

Liming Lu ◽

Alexander A. Sobol ◽

Jian Wang ◽

...

Keyword(s):

Raman Spectroscopy ◽

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

In Situ Raman Spectroscopy ◽

In Situ Raman ◽

Quantitative Studies

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Quantum chemistry literature data base supplement 9 bibliography of AB initio calculations for 1989

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(90)85096-6 ◽

1990 ◽

Vol 211 ◽

pp. 1-6 ◽

Cited By ~ 1

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Data Base

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ChemInform Abstract: Quantum Chemistry Literature Data Base, Bibliography of ab initio Calculations for 1983

Chemischer Informationsdienst ◽

10.1002/chin.198512076 ◽

1985 ◽

Vol 16 (12) ◽

Author(s):

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Data Base

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Even-tempered Gaussian atomic orbital bases in quantum chemistry: ab initio calculations on atoms hydrogen through krypton and on molecules containing carbon, hydrogen, and oxygen

10.31274/rtd-180814-973 ◽

1973 ◽

Author(s):

Richard Dale Bardo

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Atomic Orbital

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Even-tempered Gaussian atomic orbital bases in quantum chemistry: ab initio calculations on atoms hydrogen through krypton and on molecules containing carbon, hydrogen, and oxygen

10.31274/rtd-180813-973 ◽

1973 ◽

Author(s):

Richard Dale Bardo

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Atomic Orbital

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ChemInform Abstract: Quantum Chemistry Literature Data Base. Supplement 1. Bibliography of ab initio Calculations for 1981 (über 1300 Literaturangaben).

Chemischer Informationsdienst ◽

10.1002/chin.198308342 ◽

1983 ◽

Vol 14 (8) ◽

Author(s):

K. OHNO ◽

K. MOROKUMA ◽

F. HIROTA ◽

H. HOSOYA ◽

S. IWATA ◽

...

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Data Base

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Quantum chemistry literature data base supplement 13 bibliography of ab initio calculations for 1993

Journal of Molecular Structure ◽

10.1016/s0022-2860(10)80001-8 ◽

1994 ◽

Vol 316 ◽

pp. 2-6

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Data Base

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Molecular conformation of 2,2′-bithiophene determined by gas phase electron diffraction and ab initio calculations

Synthetic Metals ◽

10.1016/0379-6779(93)91035-z ◽

1993 ◽

Vol 59 (2) ◽

pp. 259-265 ◽

Cited By ~ 91

Author(s):

Svein Samdal ◽

Emil J. Samuelsen ◽

Hans V. Volden

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Conformation ◽

Gas Phase Electron Diffraction

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Quantum chemistry literature data base supplement 5 bibliography of ab initio calculations for 1985

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)85017-5 ◽

1986 ◽

Vol 148 (3-4) ◽

pp. 184-189 ◽

Cited By ~ 13

Author(s):

K. Ohno ◽

K. Morokuma ◽

F. Hirota ◽

H. Hosoya ◽

S. Iwata ◽

...

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Data Base

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Quantum chemistry literature data base bibliography of Ab initio calculations for 1978–1980

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)85304-p ◽

1991 ◽

Vol 252 ◽

pp. 15-17

Keyword(s):

Quantum Chemistry ◽

Ab Initio Calculations ◽

Ab Initio ◽

Data Base

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