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Record
1 of 27 |
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Author(s): Palafox, MA; Rastogi, VK;
Mittal, L |
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Title: Benzonitriles: Survey of their
importance and scaling of their vibrational frequencies |
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Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 94 (4): 189-204 SEP 5 2003 |
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Record
2 of 27 |
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Author(s): Palafox, MA; Rastogi, VK |
|
Title: Quantum chemical predictions of
the vibrational spectra of polyatomic molecules. The uracil molecule and two
derivatives |
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Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 58 (3): 411-440 FEB 2002 |
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Record
3 of 27 |
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Author(s): Kryachko, ES; Nguyen, MT |
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Title: Hydrogen bonding in
benzonitrile-water complexes |
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Source: JOURNAL OF CHEMICAL PHYSICS, 115
(2): 833-841 JUL 8 2001 |
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Record
4 of 27 |
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Author(s): Tzeng, WB; Narayanan, K; Lin, JL |
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Title: Detection of styrene impurities
in phenylacetylene by resonance-enhanced multiphoton ionization
time-of-flight mass spectrometry |
|
Source: APPLIED SPECTROSCOPY, 53 (6):
731-734 JUN 1999 |
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Record
5 of 27 |
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Author(s): Tzeng, WB; Narayanan, K; Lin,
JL; Tung, CC |
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Title: Structures and vibrations of
o-methylaniline in the S-0 and S-1 states studied by ab initio calculations
and resonant two-photon ionization spectroscopy |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 55 (1): 153-162 JAN 1999 |
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Record
6 of 27 |
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Author(s): Tzeng, WB; Lin, JL; Narayanan, K |
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Title: Vibronic features of
2,6-dimethylaniline, 2,6-dimethylaniline-NHD, and 2,6-dimethylanilin-ND2 by
resonant two-photon ionization mass spectrometry |
|
Source: JOURNAL OF THE CHEMICAL
SOCIETY-FARADAY TRANSACTIONS, 94 (19): 2913-2917 OCT 7 1998 |
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Record
7 of 27 |
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Author(s): Tzeng, WB; Narayanan, K; Hsieh,
CY; Tung, CC |
|
Title: Structures and vibrations of
p-dimethoxybenzene conformers in the S-0 and S-1 states studied by ab initio
calculations and resonant two-photon ionization spectroscopy |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
448 (1): 91-100 JUL 6 1998 |
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Record
8 of 27 |
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Author(s): Baranovic, G; Meic, Z; Maulitz,
AH |
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Title: Vibrational analysis of stilbene
and its isotopomers on the ground state potential energy surface |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 54 (8): 1017-1039 AUG 1998 |
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Record
9 of 27 |
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Author(s): Tzeng, WB; Narayanan, K; Chang,
GC |
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Title: Simultaneous detection of
C6H5NHD, C6H5ND2, C6D5NH2, C6D5NHD, and C6D5N2 by resonant two-photon
ionization mass spectrometry |
|
Source: APPLIED SPECTROSCOPY, 52 (6):
890-893 JUN 1998 |
|
Record
10 of 27 |
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Author(s): Tzeng, WB; Narayanan, K |
|
Title: Structures and vibrations of
p-methylaniline in the S-0 and S-1 states studied by ab initio calculations
and resonant two-photon ionization spectroscopy |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
446 (1-2): 93-102 APR 20 1998 |
|
Record
11 of 27 |
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Author(s): Tzeng, WB; Narayanan, K; Hsieh,
CY; Tung, CC |
|
Title: A study of the excited state
structure and vibrations of hydroquinone by ab initio calculations and
resonant two-photon ionization spectroscopy |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 53 (14): 2595-2604 DEC 1997 |
|
Record
12 of 27 |
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Author(s): Jordanov, B; Rogojerov, M;
Schrader, B |
|
Title: Study of overlapped bands by
means of reduced IR linear dichroic spectra |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
408: 309-314 JUN 1 1997 |
|
Record
13 of 27 |
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Author(s): Higgins, J; Zhou, XF; Liu, RF |
|
Title: Density functional theory study
of vibrational spectra .9. Structures and vibrational assignments of
dicyanobenzenes |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 53 (5): 721-731 MAY 1997 |
|
Record
14 of 27 |
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Author(s): Dimitrova, Y |
|
Title: Vibrational spectra of
benzonitrile and its radical anion: An ab initio study |
|
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 391 (3): 241-249 MAR 17 1997 |
|
Record
15 of 27 |
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Author(s): Araki, M; Sato, S; Kimura, K |
|
Title: Two-color zero kinetic energy
photoelectron spectra of benzonitrile and its vanderWaals complexes with
argon. Adiabatic ionization potentials and cation vibrational frequencies |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY,
100 (25): 10542-10546 JUN 20 1996 |
|
Record
16 of 27 |
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Author(s): Binev, IG; Tsenov, JA; Velcheva,
EA; Radomirska, VB; Juchnovski, IN |
|
Title: Infrared spectra and structure
of isomeric (cyanophenyl)acetonitriles and their carbanions: An ab initio
force field treatment |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
378 (2): 133-146 MAY 15 1996 |
|
Record
17 of 27 |
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Author(s): DIMITROVA, Y |
|
Title: VIBRATIONAL FREQUENCIES AND
INFRARED INTENSITIES OF ACETONITRILE COORDINATED WITH METAL-CATIONS - AN
AB-INITIO STUDY |
|
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 343: 25-30 NOV 10 1995 |
|
Record
18 of 27 |
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Author(s): EAST, ALL; ALLEN, WD;
KLIPPENSTEIN, SJ |
|
Title: THE ANHARMONIC-FORCE FIELD AND
EQUILIBRIUM MOLECULAR-STRUCTURE OF KETENE |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 102
(21): 8506-8532 JUN 1 1995 |
|
Record
19 of 27 |
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Author(s): BINEV, IG; TSENOV, JA; VELCHEVA,
EA; JUCHNOVSKI, IN |
|
Title: INFRARED-SPECTRA AND STRUCTURE
OF PHENYLACETONITRILE AND OF ITS CARBANION - AN AB-INITIO FORCE-FIELD
TREATMENT |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
344 (3): 205-215 JAN 15 1995 |
|
Record
20 of 27 |
|
Author(s): HARGITAI, R; SZALAY, PG; PONGOR,
G; FOGARASI, G |
|
Title: SCALED QUANTUM-MECHANICAL (SQM)
FORCE-FIELD AND VIBRATIONAL ASSIGNMENT FOR STYRENE |
|
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 112 (2-3): 293-311 APR 10 1994 |
|
Record
21 of 27 |
|
Author(s): MAGDO, I; PONGOR, G; FOGARASI, G |
|
Title: THE RELIABILITY OF SCALED
QUANTUM-MECHANICAL (SQM) FORCE-FIELDS AT THE MINDO/3 LEVEL AS STUDIED ON
NITROGEN-HETEROAROMATICS |
|
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 109: 243-253 JAN 14 1994 |
|
Record
22 of 27 |
|
Author(s): NAVARRETE, JTL; QUIRANTE, JJ;
ARANDA, MAG; HERNANDEZ, V; RAMIREZ, FJ |
|
Title: STRUCTURE, POLARIZED MICRO-RAMAN
AND FT-IR SPECTRA, AND AB-INITIO CALCULATIONS OF 1,2-DICYANOBENZENE |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY,
97 (41): 10561-10569 OCT 14 1993 |
|
Record
23 of 27 |
|
Author(s): PALAFOX, MA; BOGGS, JE |
|
Title: THEORETICAL PREDICTION OF THE
VIBRATIONAL-SPECTRUM, GEOMETRY, AND SCALED QUANTUM-MECHANICAL (SQM)
FORCE-FIELD OF PHENYLSILANE, C6H5SIH3 |
|
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 103 (1-2): 23-35 AUG 1993 |
|
Record
24 of 27 |
|
Author(s): ZHOU, XF; FOGARASI, G; LIU, RF;
PULAY, P |
|
Title: BUILDING A DATABASE OF
FORCE-CONSTANTS BASED ON SCALED AB-INITIO (SQM) RESULTS .1. CHLOROBENZENES |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 49 (10): 1499-1514 SEP 1993 |
|
Record
25 of 27 |
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Author(s): FOGARASI, G; LIU, RF; PULAY, P |
|
Title: EFFECT OF NONDYNAMIC ELECTRON
CORRELATION ON THE GEOMETRIES OF CONJUGATED PI-SYSTEMS |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY,
97 (16): 4036-4043 APR 22 1993 |
|
Record
26 of 27 |
|
Author(s): ALLEN, WD; CSASZAR, AG; HORNER,
DA |
|
Title: THE PUCKERING INVERSION BARRIER
AND VIBRATIONAL-SPECTRUM OF CYCLOPENTENE - A SCALED QUANTUM-MECHANICAL
FORCE-FIELD ALGORITHM |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 114 (17): 6834-6849 AUG 12 1992 |
|
Record
27 of 27 |
|
Author(s): CSASZAR, AG |
|
Title: THEORETICAL PREDICTION OF
VIBRATIONAL AND ROTATIONAL SPECTRA - FORMYL CYANIDE, HCOCN, AND THIOFORMYL
CYANIDE, HCSCN |
|
Source: CHEMICAL PHYSICS LETTERS, 162
(4-5): 361-368 OCT 20 1989 |