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exaly
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Department of Chemistry
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top-articles
Department of Chemistry
594
(top 1%)
papers
19.4K
(top 1%)
citations
66
(top 1%)
h
-index
113
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796
all documents
20.0K
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1.8K
citing journals
Top Articles
#
Title
Journal
Year
Citations
1
Phytochemistry of the genus Piper
Phytochemistry
1997
709
2
Polarization consistent basis sets: Principles
Journal of Chemical Physics
2001
571
3
Tetrathiafulvalenes as building blocks in supramolecular chemistry II
Chemical Society Reviews
2000
436
4
Transition moments and dynamic polarizabilities in a second order polarization propagator approach
Journal of Chemical Physics
1980
400
5
Polarization propagator methods in atomic and molecular calculations
Computer Physics Reports
1984
387
6
Electron capture dissociation of singly and multiply phosphorylated peptides
Rapid Communications in Mass Spectrometry
2000
341
7
Spin equilibria in iron(II) complexes
Coordination Chemistry Reviews
1989
290
8
Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)
Theoretical Chemistry Accounts
1998
287
9
Structure and stability of C24 and B12N12 isomers
Chemical Physics Letters
1993
265
10
Locked Nucleic Acid (LNA) Recognition of RNA: NMR Solution Structures of LNA:RNA Hybrids
Journal of the American Chemical Society
2002
243
11
Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals
Journal of Chemical Physics
1994
229
12
Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction
Theoretical Chemistry Accounts
1997
224
13
Hartree–Fock limit magnetizabilities from London orbitals
Journal of Chemical Physics
1993
202
14
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
Journal of Chemical Physics
1999
198
15
Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism
Journal of Chemical Physics
1993
186
16
The crystal structure of lanthanum manganate(iii), LaMnO3, at room temperature and at 1273 K under N2
Journal of Solid State Chemistry
1995
186
17
Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides
Journal of Computational Chemistry
1999
179
18
Anthropogenic contributions to atmospheric Hg, Pb and As accumulation recorded by peat cores from southern Greenland and Denmark dated using the 14C “bomb pulse curve”
Geochimica Et Cosmochimica Acta
2003
179
19
The conformations of locked nucleic acids (LNA)
2000
176
20
A new implementation of the second‐order polarization propagator approximation (SOPPA): The excitation spectra of benzene and naphthalene
Journal of Chemical Physics
1996
174
21
Solution Structure of a DNA Complex with the Fluorescent Bis-Intercalator TOTO Determined by NMR Spectroscopy
Biochemistry
1995
168
22
Polyacetylenes in araliaceae: Their chemistry, biosynthesis and biological significance
Phytochemistry
1986
164
23
Antisense RNA regulation in prokaryotes: rapid RNA/RNA interaction facilitated by a general U-turn loop structure
Journal of Molecular Biology
1999
154
24
Multiconfigurational quadratic response functions for singlet and triplet perturbations: The phosphorescence lifetime of formaldehyde
Journal of Chemical Physics
1992
148
25
A multiconfiguration self‐consistent reaction field response method
Journal of Chemical Physics
1994
146
26
Binding Studies between Tetrathiafulvalene Derivatives and Cyclobis(paraquat-p-phenylene)
Journal of Organic Chemistry
2001
142
27
Propagator Methods
Advances in Chemical Physics
2007
141
28
The dipole moment of carbon monoxide
Journal of Chemical Physics
1991
130
29
Synthesis and Anti-HIV-1 Activity of Novel 2,3-Dihydro-7H-thiazolo[3,2-a]pyrimidin-7-ones
Journal of Medicinal Chemistry
1998
130
30
Second-order polarization propagator calculations of indirect nuclear spin-spin coupling tensors in the water molecule
Chemical Physics
1984
122
31
Relativistic four‐component multiconfigurational self‐consistent‐field theory for molecules: Formalism
Journal of Chemical Physics
1996
121
32
S-Glucosylated hydantoins as new antiviral agents
Journal of Medicinal Chemistry
1994
120
33
Kinetics of methanol oxidation on carbon-supported Pt and Pt + Ru catalysts
Journal of Electroanalytical Chemistry
1996
119
34
A mono-TTF-annulated porphyrin as a fluorescence switchElectronic supplementary information (ESI) available: data for 4. See http://www.rsc.org/suppdata/cc/b2/b212456d/
Chemical Communications
2003
114
35
Non-Nucleoside Reverse Transcriptase Inhibitors: The NNRTI Boom
Antiviral Chemistry and Chemotherapy
1999
113
36
Dynamic polarizabilities and raman intensities of CO, N2, HCl and Cl2
Chemical Physics
1982
108
37
Solution Structure of an LNA Hybridized to DNA: NMR Study of the d(CTLGCTLTLCTLGC):d(GCAGAAGCAG) Duplex Containing Four Locked Nucleotides
Bioconjugate Chemistry
2000
107
38
Multiconfigurational self‐consistent reaction field theory for nonequilibrium solvation
Journal of Chemical Physics
1995
103
39
Measurement and simulation of nuclear inelastic-scattering spectra of molecular crystals
Physical Review B
1999
103
40
Tetrathiafulvalene Crowns: Redox-Switchable Ligands
Chemistry - A European Journal
2001
102
41
Relativistic theory for indirect nuclear spin-spin couplings within the polarization propagator approach
International Journal of Quantum Chemistry
1993
101
42
Site selective bis-intercalation of a homodimeric thiazole orange dye in DNA oligonucleotides
Nucleic Acids Research
1995
99
43
On the sodium and lithium ion affinities of some α-amino acids
Organic Mass Spectrometry
1993
96
44
Determination of Stoichiometry in Lanthanum Strontium Manganates(III)(IV) by Wet Chemical Methods
Journal of Solid State Chemistry
1994
94
45
Neutron diffraction determination of full structures of anhydrous LiX and LiY zeolites
Journal of Solid State Chemistry
1989
93
46
Synthesis and evaluation of oligodeoxynucleotides containing acyclic nucleosides: Introduction of three novel analogues and a summary
Bioorganic and Medicinal Chemistry
1995
92
47
A coupled cluster polarization propagator method applied to CH+
Journal of Chemical Physics
1986
91
48
High-Resolution AMS
14
C Dating of Post-Bomb Peat Archives of Atmospheric Pollutants
Radiocarbon
2001
90
49
Supramolecular Receptor Design: Anion-Triggered Binding of C60
Angewandte Chemie - International Edition
2006
90
50
Mixed methanol oxidation/oxygen reduction currents on a carbon supported Pt catalyst
Journal of Electroanalytical Chemistry
1996
88
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