-
1
-
-
10044239249
-
Halogen Bonds in Biological Molecules
-
Auffinger, P.; Hays, F. A.; Westhof, E.; Ho, P. S. Halogen Bonds in Biological Molecules Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 16789-16794
-
(2004)
Proc. Natl. Acad. Sci. U.S.A.
, vol.101
, pp. 16789-16794
-
-
Auffinger, P.1
Hays, F.A.2
Westhof, E.3
Ho, P.S.4
-
2
-
-
49649125704
-
Halogen Bonding in Supramolecular Chemistry
-
Metrangolo, P.; Meyer, F.; Pilati, T.; Resnati, G.; Terraneo, G. Halogen Bonding in Supramolecular Chemistry Angew. Chem., Int. Ed. 2008, 47, 6114-6127
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 6114-6127
-
-
Metrangolo, P.1
Meyer, F.2
Pilati, T.3
Resnati, G.4
Terraneo, G.5
-
3
-
-
34548168122
-
Sigma-Hole Bonding: Molecules Containing Group VI Atoms
-
Murray, J. S.; Lane, P.; Clark, T.; Politzer, P. Sigma-Hole Bonding: Molecules Containing Group VI Atoms J. Mol. Model. 2007, 13, 1033-1038
-
(2007)
J. Mol. Model.
, vol.13
, pp. 1033-1038
-
-
Murray, J.S.1
Lane, P.2
Clark, T.3
Politzer, P.4
-
4
-
-
34547957478
-
A Predicted New Type of Directional Noncovalent Interaction
-
Murray, J. S.; Lane, P.; Politzer, P. A Predicted New Type of Directional Noncovalent Interaction Int. J. Quantum Chem. 2007, 107, 2286-2292
-
(2007)
Int. J. Quantum Chem.
, vol.107
, pp. 2286-2292
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
-
5
-
-
67049170973
-
Chalcogen Bond: A Sister Noncovalent Bond to Halogen Bond
-
Wang, W.; Ji, B.; Zhang, Y. Chalcogen Bond: A Sister Noncovalent Bond to Halogen Bond J. Phys. Chem. A 2009, 113, 8132-8135
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 8132-8135
-
-
Wang, W.1
Ji, B.2
Zhang, Y.3
-
6
-
-
80052946858
-
Can Two Trivalent N Atoms Engage in a Direct N···N Noncovalent Interaction?
-
Scheiner, S. Can Two Trivalent N Atoms Engage in a Direct N···N Noncovalent Interaction? Chem. Phys. Lett. 2011, 514, 32-35
-
(2011)
Chem. Phys. Lett.
, vol.514
, pp. 32-35
-
-
Scheiner, S.1
-
7
-
-
79952494920
-
A New Noncovalent Force: Comparison of P···N Interaction with Hydrogen and Halogen Bonds
-
Scheiner, S. A New Noncovalent Force: Comparison of P·· ·N Interaction with Hydrogen and Halogen Bonds J. Chem. Phys. 2011, 134, 094315/1-094315/9
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 0943151-0943159
-
-
Scheiner, S.1
-
8
-
-
84876484550
-
Detailed Comparison of the Pnicogen Bond with Chalcogen, Halogen, and Hydrogen Bonds
-
Scheiner, S. Detailed Comparison of the Pnicogen Bond with Chalcogen, Halogen, and Hydrogen Bonds Int. J. Quantum Chem. 2013, 113, 1609-1620
-
(2013)
Int. J. Quantum Chem.
, vol.113
, pp. 1609-1620
-
-
Scheiner, S.1
-
9
-
-
84873829260
-
Halogen Bonding: An Interim Discussion
-
Politzer, P.; Murray, J. S. Halogen Bonding: An Interim Discussion ChemPhysChem 2013, 14, 278-294
-
(2013)
ChemPhysChem
, vol.14
, pp. 278-294
-
-
Politzer, P.1
Murray, J.S.2
-
10
-
-
67349235534
-
Expansion of the Sigma-Hole Concept
-
Murray, J.; Lane, P.; Politzer, P. Expansion of the Sigma-Hole Concept J. Mol. Model. 2009, 15, 723-729
-
(2009)
J. Mol. Model.
, vol.15
, pp. 723-729
-
-
Murray, J.1
Lane, P.2
Politzer, P.3
-
12
-
-
1842763826
-
Unrolling the Hydrogen Bond Properties of C-H···O Interactions
-
Steiner, T. Unrolling the Hydrogen Bond Properties of C-H···O Interactions Chem. Commun. 1997, 727-734
-
(1997)
Chem. Commun.
, pp. 727-734
-
-
Steiner, T.1
-
13
-
-
30344453639
-
Triangular Halogen Trimers. A DFT Study of the Structure, Cooperativity, and Vibrational Properties
-
Lu, Y.; Zou, J.; Wang, H.; Yu, Q.; Zhang, H.; Jiang, Y. Triangular Halogen Trimers. A DFT Study of the Structure, Cooperativity, and Vibrational Properties J. Phys. Chem. A 2005, 109, 11956-11961
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 11956-11961
-
-
Lu, Y.1
Zou, J.2
Wang, H.3
Yu, Q.4
Zhang, H.5
Jiang, Y.6
-
15
-
-
34347385022
-
Halogen Bonding and the Design of New Materials: Organic Bromides, Chlorides and Perhaps even Fluorides as Donors
-
Politzer, P.; Murray, J. S.; Concha, M. C. Halogen Bonding and the Design of New Materials: Organic Bromides, Chlorides and Perhaps Even Fluorides as Donors J. Mol. Model. 2007, 13, 643-650
-
(2007)
J. Mol. Model.
, vol.13
, pp. 643-650
-
-
Politzer, P.1
Murray, J.S.2
Concha, M.C.3
-
16
-
-
60349086808
-
A Computational Study of the Cooperativity in Clusters of Interhalogen Derivatives
-
Alkorta, I.; Blanco, F.; Elguero, J. A Computational Study of the Cooperativity in Clusters of Interhalogen Derivatives Struct. Chem. 2009, 20, 63-71
-
(2009)
Struct. Chem.
, vol.20
, pp. 63-71
-
-
Alkorta, I.1
Blanco, F.2
Elguero, J.3
-
17
-
-
84865803821
-
Cooperative and Substitution Effects in Enhancing Strengths of Halogen Bonds in FCl···CNX Complexes
-
Li, Q.; Ma, S.; Liu, X.; Li, W.; Cheng, J. Cooperative and Substitution Effects in Enhancing Strengths of Halogen Bonds in FCl··· CNX Complexes J. Chem. Phys. 2012, 137, 084314/1-084314/8
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 0843141-0843148
-
-
Li, Q.1
Ma, S.2
Liu, X.3
Li, W.4
Cheng, J.5
-
19
-
-
84873367273
-
Cooperativity of Hydrogen and Halogen Bond Interactions
-
Grabowski, S. Cooperativity of Hydrogen and Halogen Bond Interactions Theor. Chem. Acc. 2013, 132, 1-10
-
(2013)
Theor. Chem. Acc.
, vol.132
, pp. 1-10
-
-
Grabowski, S.1
-
20
-
-
84879762677
-
Substituent Effects on the Cooperativity of Halogen Bonding
-
Solimannejad, M.; Malekani, M.; Alkorta, I. Substituent Effects on the Cooperativity of Halogen Bonding J. Phys. Chem. A 2013, 117, 5551-5557
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 5551-5557
-
-
Solimannejad, M.1
Malekani, M.2
Alkorta, I.3
-
21
-
-
84885588194
-
Halogen-Halogen Interaction in View of Many-Body Approach
-
Dominikowska, J.; Palusiak, M. Halogen-Halogen Interaction in View of Many-Body Approach Chem. Phys. Lett. 2013, 583, 8-13
-
(2013)
Chem. Phys. Lett.
, vol.583
, pp. 8-13
-
-
Dominikowska, J.1
Palusiak, M.2
-
22
-
-
78549245841
-
Understanding Cooperativity in Hydrogen-Bond-Induced Supramolecular Polymerization: A Density Functional Theory Study
-
Filot, I. A. W.; Palmans, A. R. A.; Hilbers, P. A. J.; van Santen, R. A.; Pidko, E. A.; de Greef, T. F. A. Understanding Cooperativity in Hydrogen-Bond-Induced Supramolecular Polymerization: A Density Functional Theory Study J. Phys. Chem. B 2010, 114, 13667-13674
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 13667-13674
-
-
Filot, I.A.W.1
Palmans, A.R.A.2
Hilbers, P.A.J.3
Van Santen, R.A.4
Pidko, E.A.5
De Greef, T.F.A.6
-
23
-
-
84861064990
-
Hydrogen-Bonding Networks from First-Principles: Exploring the Guanidine Crystal
-
Hoepfner, V.; Deringer, V. L.; Dronskowski, R. Hydrogen-Bonding Networks from First-Principles: Exploring the Guanidine Crystal J. Phys. Chem. A 2012, 116, 4551-4559
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 4551-4559
-
-
Hoepfner, V.1
Deringer, V.L.2
Dronskowski, R.3
-
24
-
-
84890092954
-
Intermolecular Contacts in Bromomalonic Aldehyde - Intuition, Experiment, and Theory
-
Deringer, V. L.; Pan, F.; George, J.; Müller, P.; Dronskowski, R.; Englert, U. Intermolecular Contacts in Bromomalonic Aldehyde - Intuition, Experiment, and Theory CrystEngComm 2014, 16, 135-138
-
(2014)
CrystEngComm
, vol.16
, pp. 135-138
-
-
Deringer, V.L.1
Pan, F.2
George, J.3
Müller, P.4
Dronskowski, R.5
Englert, U.6
-
25
-
-
84985636275
-
How Chemistry and Physics Meet in the Solid State
-
Hoffmann, R. How Chemistry and Physics Meet in the Solid State Angew. Chem., Int. Ed. 1987, 26, 846-878
-
(1987)
Angew. Chem., Int. Ed.
, vol.26
, pp. 846-878
-
-
Hoffmann, R.1
-
26
-
-
33845550837
-
Chains of Trans-Edge-Sharing Molybdenum Octahedra: Metal-Metal Bonding in Extended Systems
-
Hughbanks, T.; Hoffmann, R. Chains of Trans-Edge-Sharing Molybdenum Octahedra: Metal-Metal Bonding in Extended Systems J. Am. Chem. Soc. 1983, 105, 3528-3537
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 3528-3537
-
-
Hughbanks, T.1
Hoffmann, R.2
-
27
-
-
33845549950
-
Molybdenum Chalcogenides: Clusters, Chains, and Extended Solids. The Approach to Bonding in Three Dimensions
-
Hughbanks, T.; Hoffmann, R. Molybdenum Chalcogenides: Clusters, Chains, and Extended Solids. The Approach to Bonding in Three Dimensions J. Am. Chem. Soc. 1983, 105, 1150-1162
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 1150-1162
-
-
Hughbanks, T.1
Hoffmann, R.2
-
28
-
-
33947094811
-
The Band Structure of the Tetracyanoplatinate Chain
-
Whangbo, M.-H.; Hoffmann, R. The Band Structure of the Tetracyanoplatinate Chain J. Am. Chem. Soc. 1978, 100, 6093-6098
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 6093-6098
-
-
Whangbo, M.-H.1
Hoffmann, R.2
-
29
-
-
12844286241
-
Ab Initio Molecular Dynamics for Liquid Metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558-561
-
-
Kresse, G.1
Hafner, J.2
-
30
-
-
27744460065
-
Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal - Amorphous-Semiconductor Transition in Germanium
-
Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 1994, 49, 14251-14269
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14251-14269
-
-
Kresse, G.1
Hafner, J.2
-
31
-
-
2442537377
-
Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
32
-
-
0030190741
-
Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
33
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
34
-
-
25744460922
-
Projector Augmented-Wave Method
-
Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blöchl, P.E.1
-
35
-
-
0011236321
-
From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
-
Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
36
-
-
33750559983
-
Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction
-
Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.1
-
37
-
-
78049495810
-
Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
-
Bučko, T.; Hafner, J.; Lebègue, S.; ángyán, J. G. Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections J. Phys. Chem. A 2010, 114, 11814-11824
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 11814-11824
-
-
Bučko, T.1
Hafner, J.2
Lebègue, S.3
Ángyán, J.G.4
-
38
-
-
0030567353
-
The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen
-
Lommerse, J. P. M.; Stone, A. J.; Taylor, R.; Allen, F. H. The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen J. Am. Chem. Soc. 1996, 118, 3108-3116
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 3108-3116
-
-
Lommerse, J.P.M.1
Stone, A.J.2
Taylor, R.3
Allen, F.H.4
-
39
-
-
47149109408
-
Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses
-
Riley, K. E.; Hobza, P. Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses J. Chem. Theory Comput. 2008, 4, 232-242
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 232-242
-
-
Riley, K.E.1
Hobza, P.2
-
40
-
-
79952635161
-
Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?
-
Chan, H. C. S.; Kendrick, J.; Leusen, F. J. J. Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable? Angew. Chem., Int. Ed. 2011, 50, 2979-2981
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 2979-2981
-
-
Chan, H.C.S.1
Kendrick, J.2
Leusen, F.J.J.3
-
41
-
-
80755182346
-
Crystal-Structure Prediction of Pyridine with Four Independent Molecules
-
van de Streek, J.; Neumann, M. A. Crystal-Structure Prediction of Pyridine with Four Independent Molecules CrystEngComm 2011, 13, 7135-7142
-
(2011)
CrystEngComm
, vol.13
, pp. 7135-7142
-
-
Van De Streek, J.1
Neumann, M.A.2
-
42
-
-
80054984935
-
The Fluorine Atom as a Halogen Bond Donor, viz. A Positive Site
-
Metrangolo, P.; Murray, J. S.; Pilati, T.; Politzer, P.; Resnati, G.; Terraneo, G. The Fluorine Atom as a Halogen Bond Donor, viz. a Positive Site CrystEngComm 2011, 13, 6593-6596
-
(2011)
CrystEngComm
, vol.13
, pp. 6593-6596
-
-
Metrangolo, P.1
Murray, J.S.2
Pilati, T.3
Politzer, P.4
Resnati, G.5
Terraneo, G.6
-
43
-
-
0009423463
-
The Crystal Structure of the Cyanogen Halides. I. The Structure of Cyanogen Iodide
-
Ketelaar, J. A. A.; Zwartsenberg, J. W. The Crystal Structure of the Cyanogen Halides. I. The Structure of Cyanogen Iodide Recl. Trav. Chim. Pays-Bas 1939, 58, 448-452
-
(1939)
Recl. Trav. Chim. Pays-Bas
, vol.58
, pp. 448-452
-
-
Ketelaar, J.A.A.1
Zwartsenberg, J.W.2
-
44
-
-
0006164232
-
Crystal Structure and Quadrupole Coupling of Cyanogen Bromide, BrCN
-
Geller, S.; Schawlow, A. L. Crystal Structure and Quadrupole Coupling of Cyanogen Bromide, BrCN J. Chem. Phys. 1955, 23, 779-783
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 779-783
-
-
Geller, S.1
Schawlow, A.L.2
-
45
-
-
4244087081
-
The Crystal Structure of Cyanogen Chloride
-
Heiart, R. B.; Carpenter, G. B. The Crystal Structure of Cyanogen Chloride Acta Crystallogr. 1956, 9, 889-895
-
(1956)
Acta Crystallogr.
, vol.9
, pp. 889-895
-
-
Heiart, R.B.1
Carpenter, G.B.2
-
46
-
-
0009566382
-
Cyanogen Fluoride: Synthesis and Properties
-
Fawcett, F. S.; Lipscomb, R. D. Cyanogen Fluoride: Synthesis and Properties J. Am. Chem. Soc. 1964, 86, 2576-2579
-
(1964)
J. Am. Chem. Soc.
, vol.86
, pp. 2576-2579
-
-
Fawcett, F.S.1
Lipscomb, R.D.2
-
47
-
-
20544433165
-
Van der Waals Volumes and Radii
-
Bondi, A. Van der Waals Volumes and Radii J. Phys. Chem. 1964, 68, 441-451
-
(1964)
J. Phys. Chem.
, vol.68
, pp. 441-451
-
-
Bondi, A.1
-
48
-
-
0010854628
-
The Crystal and Molecular Structure of Phosphorus Tricyanide
-
Emerson, K.; Britton, D. The Crystal and Molecular Structure of Phosphorus Tricyanide Acta Crystallogr. 1964, 17, 1134-1139
-
(1964)
Acta Crystallogr.
, vol.17
, pp. 1134-1139
-
-
Emerson, K.1
Britton, D.2
-
49
-
-
0010792633
-
The Crystal and Molecular Structure of Arsenic Tricyanide
-
Emerson, K.; Britton, D. The Crystal and Molecular Structure of Arsenic Tricyanide Acta Crystallogr. 1963, 16, 113-118
-
(1963)
Acta Crystallogr.
, vol.16
, pp. 113-118
-
-
Emerson, K.1
Britton, D.2
-
50
-
-
4644285185
-
Röntgenographische Kristallstrukturanalyse von Schwefeldicyanid
-
Linke, K.-H.; Lemmer, F. Röntgenographische Kristallstrukturanalyse von Schwefeldicyanid Z. Anorg. Allg. Chem. 1966, 345, 203-210
-
(1966)
Z. Anorg. Allg. Chem.
, vol.345
, pp. 203-210
-
-
Linke, K.-H.1
Lemmer, F.2
-
51
-
-
11244305810
-
The Crystal and Molecular Structure of Sulfur Dicyanide
-
Emerson, K. The Crystal and Molecular Structure of Sulfur Dicyanide Acta Crystallogr. 1966, 21, 970-974
-
(1966)
Acta Crystallogr.
, vol.21
, pp. 970-974
-
-
Emerson, K.1
-
52
-
-
84916818376
-
Determination of the Structure of Sulfur Dicyanide in the Form of Vapors, by Electron Diffraction
-
Arnold, W.; Rogowski, F. Determination of the Structure of Sulfur Dicyanide in the Form of Vapors, by Electron Diffraction Z. Naturforsch. 1965, 20b, 806-807
-
(1965)
Z. Naturforsch.
, vol.20
, pp. 806-807
-
-
Arnold, W.1
Rogowski, F.2
-
53
-
-
11244352004
-
The Crystal Structures of Selenium Dicyanide and Sulphur Dicyanide
-
Hazell, A. C. The Crystal Structures of Selenium Dicyanide and Sulphur Dicyanide Acta Crystallogr. 1963, 16, 843-844
-
(1963)
Acta Crystallogr.
, vol.16
, pp. 843-844
-
-
Hazell, A.C.1
-
54
-
-
31544431965
-
Zur Kristallstruktur einiger Cyansulfane. Beiträge zur Chemie des Schwefels, 56
-
Fehér, F.; Hirschfeld, D.; Linke, K. H. Zur Kristallstruktur einiger Cyansulfane. Beiträge zur Chemie des Schwefels, 56 Acta Crystallogr. 1963, 16, 154-154
-
(1963)
Acta Crystallogr.
, vol.16
, pp. 154-154
-
-
Fehér, F.1
Hirschfeld, D.2
Linke, K.H.3
-
55
-
-
4644285185
-
Röntgenographische Kristallstrukturanalyse von Selendicyanid
-
Linke, K.-H.; Lemmer, F. Röntgenographische Kristallstrukturanalyse von Selendicyanid Z. Anorg. Allg. Chem. 1966, 345, 211-216
-
(1966)
Z. Anorg. Allg. Chem.
, vol.345
, pp. 211-216
-
-
Linke, K.-H.1
Lemmer, F.2
-
58
-
-
33846809088
-
Halogen Bonding in Crystal Structure of 1-Methylpyrrol-2-yl Trichloromethyl Ketone
-
Bilewicz, E.; Rybarczyk-Pirek, A. J.; Dubis, A. T.; Grabowski, S. J. Halogen Bonding in Crystal Structure of 1-Methylpyrrol-2-yl Trichloromethyl Ketone J. Mol. Struct. 2007, 829, 208-211
-
(2007)
J. Mol. Struct.
, vol.829
, pp. 208-211
-
-
Bilewicz, E.1
Rybarczyk-Pirek, A.J.2
Dubis, A.T.3
Grabowski, S.J.4
-
59
-
-
84883684660
-
Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole-Hirshfeld Surface Analysis of Chlorine Halogen Bonding
-
Rybarczyk-Pirek, A. J.; CheÌ̈cińska, L.; Małecka, M.; Wojtulewski, S. Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4- quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole-Hirshfeld Surface Analysis of Chlorine Halogen Bonding Cryst. Growth Des. 2013, 13, 3913-3924
-
(2013)
Cryst. Growth Des.
, vol.13
, pp. 3913-3924
-
-
Rybarczyk-Pirek, A.J.1
Cheì̈cińska, L.2
Małecka, M.3
Wojtulewski, S.4
-
60
-
-
47549088419
-
Weak Hydrogen Bonding. Part 1. Neutron Diffraction Data of Amino Acid Cα-H Suggest Lengthening of the Covalent C-H Bond in C- H···O Interactions
-
Steiner, T. Weak Hydrogen Bonding. Part 1. Neutron Diffraction Data of Amino Acid Cα-H Suggest Lengthening of the Covalent C-H Bond in C-H···O Interactions J. Chem. Soc., Perkin Trans. 2 1995, 1315-1319
-
(1995)
J. Chem. Soc., Perkin Trans. 2
, pp. 1315-1319
-
-
Steiner, T.1
-
61
-
-
84899886869
-
Di-Trichloroacetimide; IR Spectrum and Crystal Structure
-
Patt-Siebel, U.; Müller, U.; Klinzing, P.; Dehnicke, K. Di-Trichloroacetimide; IR Spectrum and Crystal Structure Z. Naturforsch., B: Chem. Sci. 1989, 44, 370-372
-
(1989)
Z. Naturforsch., B: Chem. Sci.
, vol.44
, pp. 370-372
-
-
Patt-Siebel, U.1
Müller, U.2
Klinzing, P.3
Dehnicke, K.4
-
62
-
-
0000728179
-
The Structure of Bromine 1,4-Dioxanate
-
Hassel, O.; Hvoslef, J. The Structure of Bromine 1,4-Dioxanate Acta Chem. Scand. 1954, 8, 873-873
-
(1954)
Acta Chem. Scand.
, vol.8
, pp. 873-873
-
-
Hassel, O.1
Hvoslef, J.2
-
63
-
-
0000525891
-
Crystal Structure of the 1:1 Addition Compound Formed by Acetone and Bromine
-
Hassel, O.; Strømme, K. O. Crystal Structure of the 1:1 Addition Compound Formed by Acetone and Bromine Acta Chem. Scand. 1959, 13, 275-280
-
(1959)
Acta Chem. Scand.
, vol.13
, pp. 275-280
-
-
Hassel, O.1
Strømme, K.O.2
-
64
-
-
0000148479
-
Structural Aspects of Interatomic Charge-Transfer Bonding
-
Hassel, O. Structural Aspects of Interatomic Charge-Transfer Bonding Science 1970, 170, 497-502
-
(1970)
Science
, vol.170
, pp. 497-502
-
-
Hassel, O.1
-
65
-
-
84863410301
-
Probing the O···Br-Br Halogen Bonding in X-ray Crystal Structures with Ab Initio Calculations
-
Lo, R.; Ballabh, A.; Singh, A.; Dastidar, P.; Ganguly, B. Probing the O···Br-Br Halogen Bonding in X-ray Crystal Structures with Ab Initio Calculations CrystEngComm 2012, 14, 1833-1841
-
(2012)
CrystEngComm
, vol.14
, pp. 1833-1841
-
-
Lo, R.1
Ballabh, A.2
Singh, A.3
Dastidar, P.4
Ganguly, B.5
-
66
-
-
0041149456
-
Crystal Structure of the Addition Compound 1,4-Dioxan-Chlorine
-
Hassel, O.; Strømme, K. O. Crystal Structure of the Addition Compound 1,4-Dioxan-Chlorine Acta Chem. Scand. 1959, 3, 1775-1780
-
(1959)
Acta Chem. Scand.
, vol.3
, pp. 1775-1780
-
-
Hassel, O.1
Strømme, K.O.2
-
68
-
-
84860285773
-
Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions
-
Riley, K. E.; Platts, J. A.; Řezáč, J.; Hobza, P.; Hill, J. G. Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions J. Phys. Chem. A 2012, 116, 4159-4169
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 4159-4169
-
-
Riley, K.E.1
Platts, J.A.2
Řezáč, J.3
Hobza, P.4
Hill, J.G.5
-
69
-
-
82955173082
-
System-Dependent Dispersion Coefficients for the DFT-D3 Treatment of Adsorption Processes on Ionic Surfaces
-
Ehrlich, S.; Moellmann, J.; Reckien, W.; Bredow, T.; Grimme, S. System-Dependent Dispersion Coefficients for the DFT-D3 Treatment of Adsorption Processes on Ionic Surfaces ChemPhysChem 2011, 12, 3414-3420
-
(2011)
ChemPhysChem
, vol.12
, pp. 3414-3420
-
-
Ehrlich, S.1
Moellmann, J.2
Reckien, W.3
Bredow, T.4
Grimme, S.5
-
70
-
-
77951680464
-
A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
-
Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu. J. Chem. Phys. 2010, 132, 154104/1-154104/19
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 1541041-15410419
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
71
-
-
82055197100
-
VESTA3 for Three-Dimensional Visualization of Crystal, Volumetric and Morphology Data
-
Momma, K.; Izumi, F. VESTA3 for Three-Dimensional Visualization of Crystal, Volumetric and Morphology Data J. Appl. Crystallogr. 2011, 44, 1272-1276
-
(2011)
J. Appl. Crystallogr.
, vol.44
, pp. 1272
-
-
Momma, K.1
Izumi, F.2
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