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Volume 324; Issue 1-3
Main
Chemical Physics Letters
Volume 324; Issue 1-3
Chemical Physics Letters
Volume 324; Issue 1-3
1
Hybrid density functionals and ab initio studies of 2-pyridone–H2O and 2-pyridone–(H2O)2
Ahmed Dkhissi
,
Ludwik Adamowicz
,
Guido Maes
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 162 KB
Your tags:
english, 2000
2
Flame synthesis of substrate-supported metal-catalyzed carbon nanotubes
Randall L. Vander Wal
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 1.12 MB
Your tags:
english, 2000
3
Langmuir–Blodgett film properties of a donor–acceptor Schiff base
Mookandi Kanthimathi
,
Aruna Dhathathreyan
,
Balachandran Unni Nair
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 99 KB
Your tags:
english, 2000
4
Gain studies of Coumarin 490 dye-doped polymer laser
G Somasundaram
,
A Ramalingam
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 122 KB
Your tags:
english, 2000
5
Thermal conductivity of liquid octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from molecular dynamics simulations
Dmitry Bedrov
,
Grant D Smith
,
Thomas D Sewell
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 80 KB
Your tags:
english, 2000
6
The molecular structure and conformation of tetrabromoformaldazine: ab initio and DFT calculations
Myongho Jeong
,
Younghi Kwon
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 134 KB
Your tags:
english, 2000
7
Boron-catalyzed multi-walled carbon nanotube growth with the reduced number of layers by laser ablation
K. Hirahara
,
K. Suenaga
,
S. Bandow
,
S. Iijima
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 609 KB
Your tags:
english, 2000
8
Reactivity of AlnC clusters with oxygen: search for new magic clusters
C Ashman
,
S.N Khanna
,
M.R Pederson
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 160 KB
Your tags:
english, 2000
9
Single-molecule spectroscopy in oxygen-depleted polymer films
D.S. English
,
A. Furube
,
P.F. Barbara
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 148 KB
Your tags:
english, 2000
10
On the theoretical reports on 7-azaindole base-pair phototautomerization
Abderrazzak Douhal
,
Miquel Moreno
,
José Maria Lluch
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 156 KB
Your tags:
english, 2000
11
The electronic spectrum of linear and rhombic C4
Max Mühlhäuser
,
George E Froudakis
,
Michael Hanrath
,
Sigrid D Peyerimhoff
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 77 KB
Your tags:
english, 2000
12
A method of determining donor–acceptor distribution functions in Förster resonance energy transfer
O.J. Rolinski
,
D.J.S. Birch
,
L.J. McCartney
,
J.C. Pickup
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 117 KB
Your tags:
english, 2000
13
Electronic structure investigation of the Al4O4 molecule
Ch Chang
,
A.B.C Patzer
,
E Sedlmayr
,
T Steinke
,
D Sülzle
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 132 KB
Your tags:
english, 2000
14
Electronic relaxations in donor–acceptor biphenyls
Michael Maus
,
Wolfgang Rettig
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 188 KB
Your tags:
english, 2000
15
A computational study on electronic structures of GenF− and GenF (n=3–6) clusters by density functional theory
Ju-Guang Han
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 112 KB
Your tags:
english, 2000
16
Steady-state free-precession in nitrogen-14 quadrupolar spin-system with axially symmetric electric field gradient tensor
T.N. Rudakov
,
V.T. Mikhaltsevich
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 353 KB
Your tags:
english, 2000
17
Dielectric behavior and percolation phenomena in porous silica gels
T. Saraidarov
,
E. Axelrod
,
Yu. Feldman
,
R. Reisfeld
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 384 KB
Your tags:
english, 2000
18
G2(MP2) molecular orbital study of the substituent effect in the H3BPH3−nFn (n=0–3) donor–acceptor complexes
H. Anane
,
A. Jarid
,
A. Boutalib
,
I. Nebot-Gil
,
F. Tomás
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 68 KB
Your tags:
english, 2000
19
CN(A 2Πi→X 2Σ+) chemiluminescence from the N+C2N, N+CCl, and N+C2 reactions under low-pressure fast-flow conditions
N. Daugey
,
A. Bergeat
,
J.-C. Loison
,
A. Schuck
,
P. Caubet
,
G. Dorthe
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 177 KB
Your tags:
english, 2000
20
Accurate quantum-mechanical calculation for O(1D)+DCl reaction
Shi Ying Lin
,
Ke Li Han
,
John Z.H. Zhang
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 112 KB
Your tags:
english, 2000
21
Direct dynamics simulation of the methanethiol cation decomposition
E. Martínez-Núñez
,
A. Peña-Gallego
,
R. Rodríguez-Fernández
,
S.A. Vázquez
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 142 KB
Your tags:
english, 2000
22
Explicitly correlated R12 coupled cluster calculations for open shell systems
Jozef Noga
,
Pierre Valiron
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 101 KB
Your tags:
english, 2000
23
Charge transfer excitons in perylenetetracarboxylic dianhydride – microelectrostatic calculations
Grzegorz Mazur
,
Piotr Petelenz
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 63 KB
Your tags:
english, 2000
24
The equilibrium structure and relative energy of cis- and trans-hydroxysilylene, HSiOH
Jacek Koput
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 67 KB
Your tags:
english, 2000
25
Jahn–Teller distortion and merohedral disorder of C60−· as observed by ESR
W. Bietsch
,
J. Bao
,
J. Lüdecke
,
S. van Smaalen
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 175 KB
Your tags:
english, 2000
26
Potential energy landscape for proton transfer in (H2O)3H+: comparison of density functional theory and wavefunction-based methods
Phillip L Geissler
,
Troy Van Voorhis
,
Christoph Dellago
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 149 KB
Your tags:
english, 2000
27
Surface defect site density on single walled carbon nanotubes by titration
Douglas B. Mawhinney
,
Viktor Naumenko
,
Anya Kuznetsova
,
John T. Yates Jr.
,
J. Liu
,
R.E. Smalley
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 132 KB
Your tags:
english, 2000
28
Third-body dependence of rate coefficients for ozone formation in 16O–18O mixtures
Juergen Guenther
,
Dieter Krankowsky
,
Konrad Mauersberger
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 84 KB
Your tags:
english, 2000
29
Solvation effects on the iodoform ultraviolet direct photodissociation reaction: opening the photoisomerization channel
Xuming Zheng
,
David Lee Phillips
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 176 KB
Your tags:
english, 2000
30
On the experimental evidences for 7-azaindole base-pair model ultrafast phototautomerization
Abderrazzak Douhal
,
Miquel Moreno
,
José Maria Lluch
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 141 KB
Your tags:
english, 2000
31
Symmetry-breaking collisional energy transfer in the 4νCH rovibrational manifold of acetylene: spectroscopic evidence of a quasi-continuum of background states
M.A. Payne
,
A.P. Milce
,
M.J. Frost
,
B.J. Orr
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 222 KB
Your tags:
english, 2000
32
Molecular dynamics study of biphenyl and 3,5,3′,5′-tetrafluorobiphenyl in CCl4 solution
Andrzej Szymoszek
,
Aleksander Koll
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 259 KB
Your tags:
english, 2000
33
Ab-initio molecular deformation barriers using auxiliary-field quantum Monte Carlo with application to the inversion barrier of water
Roi Baer
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 139 KB
Your tags:
english, 2000
34
Systematic study of the parameters determining stockholder charges
B. Rousseau
,
A. Peeters
,
C. Van Alsenoy
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 68 KB
Your tags:
english, 2000
35
One-dimensional dipolar-shift spectroscopy under magic angle spinning to determine the chemical-shift anisotropy tensors
Yufeng Wei
,
Dong-Kuk Lee
,
A. Ramamoorthy
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 284 KB
Your tags:
english, 2000
36
Direct calculation of anharmonic vibrational states of polyatomic molecules using density functional theory: spectroscopic tests of recently developed functionals
Nicholas J. Wright
,
R. Benny Gerber
,
David J. Tozer
Journal:
Chemical Physics Letters
Year:
2000
Language:
english
File:
PDF, 70 KB
Your tags:
english, 2000
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