# | Title | Journal | Year | Citations |
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1 | Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits | Journal of Chemical Physics | 2005 | 769 |
2 | Aromaticity of Phosphorus Heterocycles | Chemical Reviews | 2001 | 368 |
3 | From Model Compounds to Extended π-Conjugated Systems: Synthesis and Properties of Dithieno[3,2-b:2′,3′-d]phospholes | Chemistry - A European Journal | 2005 | 158 |
4 | Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons | Journal of the American Chemical Society | 2012 | 139 |
5 | About the aromaticity of five-membered heterocycles | Computational and Theoretical Chemistry | 1995 | 91 |
6 | Synthesis and Structure of a 1,3-Diphosphacyclobutadienediide: An Aniomesolytic Fragmentation of a 1,3-Diphosphetane-2,4-diyl in Solution | Angewandte Chemie - International Edition | 2004 | 88 |
7 | Binding Energy Curves from Nonempirical Density Functionals II. van der Waals Bonds in Rare-Gas and Alkaline-Earth Diatomics | Journal of Physical Chemistry A | 2005 | 82 |
8 | Relative stability of 1C4 and 4C1 chair forms of β-d-glucose: a density functional study | Chemical Physics Letters | 1996 | 81 |
9 | Aromatic Compounds with Planar Tricoordinate Phosphorus | Tetrahedron | 2000 | 70 |
10 | An aromatic–antiaromatic switch in P-heteroles. A small change in delocalisation makes a big reactivity difference | Organic and Biomolecular Chemistry | 2006 | 67 |
11 | Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2 | Computational and Theoretical Chemistry | 1997 | 66 |
12 | Characterization of metal nitrates and clay supported metal nitrates by thermal analysis | Thermochimica Acta | 1996 | 64 |
13 | Energies of organic molecules and atoms in density functional theory | International Journal of Quantum Chemistry | 2005 | 64 |
14 | Transition Metal Complexes of N-Heterocyclic Germylenes | European Journal of Inorganic Chemistry | 2009 | 62 |
15 | Inclusion of exact exchange for self-interaction corrected H 3 density functional potential energy surface | Theoretical Chemistry Accounts | 1998 | 61 |
16 | Nature of Bonding in Cyclic Conjugated Ylides | The Journal of Physical Chemistry | 1996 | 59 |
17 | The First Delocalized Phosphole Containing a Planar Tricoordinate Phosphorus Atom: 1-[Bis(trimethylsilyl)methyl]-3,5-bis(trimethylsilyl)-1,2,4-triphosphole | Angewandte Chemie - International Edition | 1998 | 57 |
18 | Binding Energy Curves from Nonempirical Density Functionals. I. Covalent Bonds in Closed-Shell and Radical Molecules | Journal of Physical Chemistry A | 2005 | 57 |
19 | Synthesis of an Isolable Diphosphaisobenzene and a Stable Cyclic Allene with Six Ring Atoms | Angewandte Chemie - International Edition | 2000 | 54 |
20 | Analysis of the core-repulsion functions used in AM1 and PM3 semiempirical calculations: Conformational analysis of ring systems | Journal of Computational Chemistry | 1993 | 52 |
21 | Toward a Planar σ3-Phosphorus | The Journal of Physical Chemistry | 1996 | 52 |
22 | Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies | Journal of Physical Chemistry A | 2005 | 47 |
23 | Density functional conformational analysis of 1,2-ethanediol | Chemical Physics Letters | 1995 | 46 |
24 | The Mechanism of 1,2-Addition of Disilene and Silene. 1. Water and Alcohol Addition | Journal of the American Chemical Society | 2001 | 46 |
25 | Stability of phosphinidenes—Are they synthetically accessible? | Dalton Transactions | 2006 | 46 |
26 | Stabilization of Unsymmetrically Annelated Imidazol-2-ylidenes with Respect to Their Higher Group 14 Homologues by n-/π-HOMO Inversion | Angewandte Chemie - International Edition | 2007 | 44 |
27 | Diastereoselective synthesis of 1,2,3,6-tetrahydrophosphinine 1-oxides with an exocyclic P-function by a Michael type addition | Tetrahedron Letters | 2002 | 43 |
28 | Phosphorus stabilized carbenes: theoretical predictions | Journal of Organometallic Chemistry | 2002 | 42 |
29 | Triplet–singlet energy gaps in iodo-carbenes (I–C–X): Remarkable discrepancy between theory and experiment | Physical Chemistry Chemical Physics | 2000 | 41 |
30 | From Silaallene to Cyclotrisilanylidene | Organometallics | 2006 | 40 |
31 | Cyclic Bis(phosphanyl)carbenium Ion by Protonation of a 1,3-Diphosphacyclobutane-2,4-diyl | Angewandte Chemie - International Edition | 2005 | 39 |
32 | Ab initio and density functional study of the conformational space of1C4 ?-L-fucose | Journal of Computational Chemistry | 1997 | 38 |
33 | Study of the planarization of the tricordinate phosphorus in phospholes; photoelectron spectra and structure of partially planarized phospholes | Journal of Organometallic Chemistry | 1998 | 37 |
34 | Quantum chemical studies on excited state intermolecular proton transfer of oxazine dyes | Journal of Molecular Structure | 2000 | 36 |
35 | Proper Gaussian Basis Sets for Density Functional Studies of Water Dimers and Trimers | Journal of Physical Chemistry B | 2005 | 36 |
36 | Synthesis and Photoelectron Spectroscopic Studies of N(CH2CH2NMe)3PE (E = O, S, NH, CH2) | Journal of the American Chemical Society | 2006 | 34 |
37 | Assignment of photoelectron spectra of the acenes with the help of modified CNDO/S calculations | Chemical Physics Letters | 1982 | 33 |
38 | Pentaphosphole: An Aromatic Ring with a Planar σ3-Phosphorus | Inorganic Chemistry | 1996 | 33 |
39 | Allylation of Phosphorus, Arsenic, and Antimony Trihalides by Allylic Stannanes. Synthesis, Spectroscopic Characterization, and Quantum Chemical Investigations of Allylic Phosphines, Arsines, and Stibines | Journal of Organic Chemistry | 1998 | 33 |
40 | 4-Chloro-5-methyl-3-diphenylphosphino-1-phenyl-1,2,3,6-tetrahydrophosphinine as a bidentate P-ligand in a cis chelate Pt(II) complex | Journal of Organometallic Chemistry | 2004 | 33 |
41 | The use of atomic intrinsic polarizabilities in the evaluation of the dispersion energy | Journal of Chemical Physics | 2007 | 33 |
42 | Density functional study of the equilibrium geometry and Si-O-Si potential energy curve of disiloxane | Chemical Physics Letters | 1994 | 32 |
43 | Study on the aromaticity and reactivity of chlorophosphinines | Heteroatom Chemistry | 1994 | 29 |
44 | Unstable Chloronitrile Oxide, ClCNO, and Its Stable Ring Dimer: Generation, Spectroscopy, and Structure | Journal of Physical Chemistry A | 1998 | 29 |
45 | Remarkable carbene-induced transformation of 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene, P3C3But3, to the 1,2,4-triphosphole, P3C2But2CBut(carbene). Crystal and molecular structure of the planar triphosphole complex [Mo(CO)3(η5-P3C2But2CBut(carbene))] [carbene = C(N(Me)C(Me)=C(Me)N(Me))] | Chemical Communications | 2000 | 29 |
46 | Spin-philicity and spin-donicity of simple nitrenes and phosphinidenes | Chemical Physics Letters | 2005 | 29 |
47 | Continuous manufacturing of orally dissolving webs containing a poorly soluble drug via electrospinning | European Journal of Pharmaceutical Sciences | 2019 | 29 |
48 | Ab initio molecular orbital study of 1-fluorosilatrane | Journal of Computational Chemistry | 1994 | 28 |
49 | Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol | Chemical Physics Letters | 1995 | 28 |
50 | Toward Stable Silylenes | The Journal of Physical Chemistry | 1996 | 28 |