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Record
1 of 30 |
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Author(s): Campanelli, AR; Arcadi, A;
Domenicano, A; Ramondo, F; Hargittai, I |
|
Title: Molecular structure and benzene
ring deformation of three ethynylbenzenes from gas-phase electron diffraction
and quantum chemical calculations |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
110 (5): 2045-2052 FEB 9 2006 |
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Record
2 of 30 |
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Author(s): Amatatsu, Y; Hasebe, Y |
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Title: Ab initio study on
phenylacetylene in S-1 and S-2 |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (50): 11169-11173 DEC 18 2003 |
|
Record
3 of 30 |
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Author(s): Serrano-Andres, L; Merchan, M;
Jablonski, M |
|
Title: The electronic spectra of aryl
olefins: A theoretical study of phenylacetylene |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 119
(8): 4294-4304 AUG 22 2003 |
|
Record
4 of 30 |
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Author(s): Palafox, MA; Rastogi, VK;
Mittal, L |
|
Title: Benzonitriles: Survey of their
importance and scaling of their vibrational frequencies |
|
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 94 (4): 189-204 SEP 5 2003 |
|
Record
5 of 30 |
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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 |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 58 (3): 411-440 FEB 2002 |
|
Record
6 of 30 |
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Author(s): Baranovic, G; Meic, Z; Maulitz,
AH |
|
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
7 of 30 |
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Author(s): Swiderek, P; Gootz, B |
|
Title: The low-lying singlet-triplet
transitions of phenylacetylene and styrene: Analysis of the vibronic
structure |
|
Source: BERICHTE DER
BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 102 (6): 882-893 JUN
1998 |
|
Record
8 of 30 |
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Author(s): Swiderek, P; Gootz, B;
Winterling, H |
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Title: Electron-energy-loss
spectroscopy of solid phenylacetylene |
|
Source: CHEMICAL PHYSICS LETTERS, 285
(3-4): 246-251 MAR 20 1998 |
|
Record
9 of 30 |
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Author(s): Csaszar, AG |
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Title: Isomers of P2S2 |
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Source: JOURNAL OF PHYSICAL CHEMISTRY A,
101 (2): 201-207 JAN 9 1997 |
|
Record
10 of 30 |
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Author(s): Narayanan, K; Chang, GC; Shieh,
KC; Tung, CC |
|
Title: S-1<-S-0 transition of
phenylacetylene: Ab initio and resonant two-photon ionization studies |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 52 (13): 1703-1716 NOV 30 1996 |
|
Record
11 of 30 |
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Author(s): Zhou, XF; Wheeless, CJM; Liu, RF |
|
Title: Density functional theory study
of vibrational spectra .1. Performance of several density functional methods
in predicting vibrational frequencies |
|
Source: VIBRATIONAL SPECTROSCOPY, 12
(1): 53-63 JUL 1996 |
|
Record
12 of 30 |
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Author(s): Csaszar, AG |
|
Title: Conformers of gaseous
alpha-alanine |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY,
100 (9): 3541-3551 FEB 29 1996 |
|
Record
13 of 30 |
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Author(s): Allain, T; Leach, S; Sedlmayr, E |
|
Title: Photodestruction of PAHs in the
interstellar medium .1. Photodissociation rates for the loss of an acetylenic
group |
|
Source: ASTRONOMY AND ASTROPHYSICS, 305
(2): 602-615 JAN 10 1996 |
|
Record
14 of 30 |
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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
15 of 30 |
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Author(s): GRANUCCI, G; ELLINGER, Y;
BOISSEL, P |
|
Title: THE ENERGETICS OF FRAGMENTATION
OF THE NAPHTHALENE CATION |
|
Source: CHEMICAL PHYSICS, 191 (1-3):
165-175 FEB 1 1995 |
|
Record
16 of 30 |
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Author(s): SOHAR, P |
|
Title: RESEARCH ON MOLECULAR-STRUCTURE
DETERMINATION IN HUNGARY |
|
Source: MAGYAR KEMIAI FOLYOIRAT, 100
(11): 469-496 NOV 1994 |
|
Record
17 of 30 |
|
Author(s): WLODARCZAK, G; DEMAISON, J;
HEINEKING, N; CSASZAR, AG |
|
Title: THE ROTATIONAL SPECTRUM OF
PROPENE - INTERNAL-ROTATION ANALYSIS AND AB-INITIO AND EXPERIMENTAL
CENTRIFUGAL-DISTORTION CONSTANTS |
|
Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 167 (2): 239-247 OCT 1994 |
|
Record
18 of 30 |
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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
19 of 30 |
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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
20 of 30 |
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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
21 of 30 |
|
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
22 of 30 |
|
Author(s): SCHULTZ, G; NAGY, T; PORTALONE,
G; RAMONDO, F; HARGITTAI, I; DOMENICANO, A |
|
Title: MOLECULAR-STRUCTURE OF
ETHYNYLBENZENE FROM ELECTRON-DIFFRACTION AND ABINITIO MOLECULAR-ORBITAL
CALCULATIONS |
|
Source: STRUCTURAL CHEMISTRY, 4 (3):
183-190 JUN 1993 |
|
Record
23 of 30 |
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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
24 of 30 |
|
Author(s): DYKE, JM; OZEKI, H; TAKAHASHI,
M; COCKETT, MCR; KIMURA, K |
|
Title: A STUDY OF PHENYLACETYLENE AND
STYRENE, AND THEIR ARGON COMPLEXES PA-AR AND ST-AR WITH LASER THRESHOLD
PHOTOELECTRON-SPECTROSCOPY |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 97
(12): 8926-8933 DEC 15 1992 |
|
Record
25 of 30 |
|
Author(s): SCHNEIDER, S; SCHARNAGL, C; BUG,
R; BARANOVIC, G; MEIC, Z |
|
Title: A FORCE-FIELD CALCULATION FOR
TRANS-STILBENE ION RADICALS |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY,
96 (24): 9748-9759 NOV 26 1992 |
|
Record
26 of 30 |
|
Author(s): FOGARASI, G; ZHOU, XF; TAYLOR,
PW; PULAY, P |
|
Title: THE CALCULATION OF ABINITIO
MOLECULAR GEOMETRIES - EFFICIENT OPTIMIZATION BY NATURAL INTERNAL COORDINATES
AND EMPIRICAL CORRECTION BY OFFSET FORCES |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 114 (21): 8191-8201 OCT 7 1992 |
|
Record
27 of 30 |
|
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
28 of 30 |
|
Author(s): FLORIAN, J |
|
Title: SCALED QUANTUM-MECHANICAL
FORCE-FIELDS AND INTERPRETATION OF VIBRATIONAL-SPECTRA OF DIFFERENTLY
PROTONATED ADENINE |
|
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 85: 83-100 JAN 31 1992 |
|
Record
29 of 30 |
|
Author(s): LI, XY; ZGIERSKI, MZ |
|
Title: PORPHINE FORCE-FIELD - INPLANE
NORMAL-MODES OF FREE-BASE PORPHINE - COMPARISON WITH METALLOPORPHINES AND
STRUCTURAL IMPLICATIONS |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY,
95 (11): 4268-4287 MAY 30 1991 |
|
Record
30 of 30 |
|
Author(s): STANLEY, RJ; CASTLEMAN, AW |
|
Title: ION DIP SPECTROSCOPY OF
VANDERWAALS CLUSTERS |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 92
(10): 5770-5775 MAY 15 1990 |