Complementary bonding analysis:
Gespeichert in:
Weitere Verfasser: | |
---|---|
Format: | Buch |
Sprache: | English |
Veröffentlicht: |
Berlin ; Boston
De Gruyter
[2021]
|
Schriftenreihe: | De Gruyter STEM
|
Schlagworte: | |
Online-Zugang: | Inhaltsverzeichnis |
Beschreibung: | VIII, 393 Seiten Illustrationen, Diagramme (überwiegend farbig) |
ISBN: | 9783110660067 |
Internformat
MARC
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245 | 1 | 0 | |a Complementary bonding analysis |c edited by Simon Grabowsky |
264 | 1 | |a Berlin ; Boston |b De Gruyter |c [2021] | |
264 | 4 | |c © 2021 | |
300 | |a VIII, 393 Seiten |b Illustrationen, Diagramme (überwiegend farbig) | ||
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999 | |a oai:aleph.bib-bvb.de:BVB01-032638052 |
Datensatz im Suchindex
_version_ | 1804182366388748288 |
---|---|
adam_text | CONTENTS
PREFACE
*
V
PART
I:
THE
IMPORTANCE
OF
CHEMICAL
BONDING
CONCEPTS
SIMON
GRABOWSKY
1
INTRODUCTION
TO
COMPLEMENTARY
BONDING
ANALYSIS
*
3
DIETMARSTALKE
2
CHEMICAL
CONCEPTS
OF
BONDING
AND
CURRENT
RESEARCH
PROBLEMS,
OR:
WHY
SHOULD
WE
BOTHER
TO
ENGAGE
IN
CHEMICAL
BONDING
ANALYSIS?
*
9
PART
II:
BONDING
DESCRIPTORS
FROM
QUANTUM
CHEMISTRY
ANGEL
MARTIN
PENDAS
AND
CARLO
GATTI
3
QUANTUM
THEORY
OF
ATOMS
IN
MOLECULES
AND
THE
AIMALL
SOFTWARE
*
43
MIROSLAV
KOHOUT
4
ELECTRON
LOCALIZABILITY
INDICATOR
AND
BONDING
ANALYSIS
WITH
DGRID
*
75
JEAN
CHRISTOPHE
TREMBLAY
5
IS
THERE
A
UNIQUE
WAY
OF
LOCALIZING
MOLECULAR
ORBITALS,
AND
WHY
NOT
*
113
ERIC
D.
GLENDENING,
CLARK
R.
LANDIS,
AND
FRANK
WEINHOLD
6
NATURAL
BOND
ORBITAL
THEORY:
DISCOVERING
CHEMISTRY
WITH
NB07
*
129
AVITAL
SHURKI,
BENOTT
BRAYDA,
AND
WEI
WU
7
VALENCE
BOND
THEORY
WITH
XMVB
-----
157
TREVOR
A.
HAMLIN,
PASCAL
VERMEEREN,
CELIA
FONSECA
GUERRA,
AND
F.
MATTHIAS
BICKELHAUPT
8
ENERGY
DECOMPOSITION
ANALYSIS
IN
THE
CONTEXT
OF
QUANTITATIVE
MOLECULAR
ORBITAL
THEORY
*
199
PART
III:
BONDING
DESCRIPTORS
FROM
QUANTUM
CRYSTALLOGRAPHY
PIERO
MACCHI
9
INTRODUCTION
TO
QUANTUM
CRYSTALLOGRAPHY
*
215
VIII
*
CONTENTS
BENOTT
GUILLOT,
CHRISTIAN
JELSCH,
AND
PIERO
MACCHI
10
MULTIPOLE
MODELING
WITH
MOPRO
AND
XD
-----
235
ALESSANDRO
GENONI
AND
DYLAN
JAYATILAKA
11
X-RAY
CONSTRAINED
WAVEFUNCTION
ANALYSIS
WITH
TONTO
*
269
DANA
NACHTIGALLOVA
AND
PAVEL
HOBZA
12
INTRODUCTION
TO
NONCOVALENT
INTERACTIONS
*
309
MARK
A.
SPACKMAN,
PETER
R.
SPACKMAN,
AND
SAJESH
P.
THOMAS
13
BEYOND
HIRSHFELD
SURFACE
ANALYSIS:
INTERACTION
ENERGIES,
ENERGY
FRAMEWORKS
AND
LATTICE
ENERGIES
WITH
CRYSTALEXPLORER
*
329
RUBEN
LAPLAZA,
FRANCESCA
PECCATI,
DAVID
ARIAS-OLIVARES,
AND
JULIA
CONTRERAS-GARCIA
14
VISUALIZING
NON-COVALENT
INTERACTIONS
WITH
NCIPLOT
*
353
APPENDIX
-----
379
INDEX
-----
383
|
adam_txt |
CONTENTS
PREFACE
*
V
PART
I:
THE
IMPORTANCE
OF
CHEMICAL
BONDING
CONCEPTS
SIMON
GRABOWSKY
1
INTRODUCTION
TO
COMPLEMENTARY
BONDING
ANALYSIS
*
3
DIETMARSTALKE
2
CHEMICAL
CONCEPTS
OF
BONDING
AND
CURRENT
RESEARCH
PROBLEMS,
OR:
WHY
SHOULD
WE
BOTHER
TO
ENGAGE
IN
CHEMICAL
BONDING
ANALYSIS?
*
9
PART
II:
BONDING
DESCRIPTORS
FROM
QUANTUM
CHEMISTRY
ANGEL
MARTIN
PENDAS
AND
CARLO
GATTI
3
QUANTUM
THEORY
OF
ATOMS
IN
MOLECULES
AND
THE
AIMALL
SOFTWARE
*
43
MIROSLAV
KOHOUT
4
ELECTRON
LOCALIZABILITY
INDICATOR
AND
BONDING
ANALYSIS
WITH
DGRID
*
75
JEAN
CHRISTOPHE
TREMBLAY
5
IS
THERE
A
UNIQUE
WAY
OF
LOCALIZING
MOLECULAR
ORBITALS,
AND
WHY
NOT
*
113
ERIC
D.
GLENDENING,
CLARK
R.
LANDIS,
AND
FRANK
WEINHOLD
6
NATURAL
BOND
ORBITAL
THEORY:
DISCOVERING
CHEMISTRY
WITH
NB07
*
129
AVITAL
SHURKI,
BENOTT
BRAYDA,
AND
WEI
WU
7
VALENCE
BOND
THEORY
WITH
XMVB
-----
157
TREVOR
A.
HAMLIN,
PASCAL
VERMEEREN,
CELIA
FONSECA
GUERRA,
AND
F.
MATTHIAS
BICKELHAUPT
8
ENERGY
DECOMPOSITION
ANALYSIS
IN
THE
CONTEXT
OF
QUANTITATIVE
MOLECULAR
ORBITAL
THEORY
*
199
PART
III:
BONDING
DESCRIPTORS
FROM
QUANTUM
CRYSTALLOGRAPHY
PIERO
MACCHI
9
INTRODUCTION
TO
QUANTUM
CRYSTALLOGRAPHY
*
215
VIII
*
CONTENTS
BENOTT
GUILLOT,
CHRISTIAN
JELSCH,
AND
PIERO
MACCHI
10
MULTIPOLE
MODELING
WITH
MOPRO
AND
XD
-----
235
ALESSANDRO
GENONI
AND
DYLAN
JAYATILAKA
11
X-RAY
CONSTRAINED
WAVEFUNCTION
ANALYSIS
WITH
TONTO
*
269
DANA
NACHTIGALLOVA
AND
PAVEL
HOBZA
12
INTRODUCTION
TO
NONCOVALENT
INTERACTIONS
*
309
MARK
A.
SPACKMAN,
PETER
R.
SPACKMAN,
AND
SAJESH
P.
THOMAS
13
BEYOND
HIRSHFELD
SURFACE
ANALYSIS:
INTERACTION
ENERGIES,
ENERGY
FRAMEWORKS
AND
LATTICE
ENERGIES
WITH
CRYSTALEXPLORER
*
329
RUBEN
LAPLAZA,
FRANCESCA
PECCATI,
DAVID
ARIAS-OLIVARES,
AND
JULIA
CONTRERAS-GARCIA
14
VISUALIZING
NON-COVALENT
INTERACTIONS
WITH
NCIPLOT
*
353
APPENDIX
-----
379
INDEX
-----
383 |
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illustrated | Illustrated |
index_date | 2024-07-03T17:01:46Z |
indexdate | 2024-07-10T09:06:24Z |
institution | BVB |
isbn | 9783110660067 |
language | English |
oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-032638052 |
oclc_num | 1249671324 |
open_access_boolean | |
owner | DE-384 DE-11 DE-19 DE-BY-UBM |
owner_facet | DE-384 DE-11 DE-19 DE-BY-UBM |
physical | VIII, 393 Seiten Illustrationen, Diagramme (überwiegend farbig) |
publishDate | 2021 |
publishDateSearch | 2021 |
publishDateSort | 2021 |
publisher | De Gruyter |
record_format | marc |
series2 | De Gruyter STEM |
spelling | Complementary bonding analysis edited by Simon Grabowsky Berlin ; Boston De Gruyter [2021] © 2021 VIII, 393 Seiten Illustrationen, Diagramme (überwiegend farbig) txt rdacontent n rdamedia nc rdacarrier De Gruyter STEM Chemische Bindung (DE-588)4009843-6 gnd rswk-swf PN: Chemistry PNR: Physical chemistry PNRP: Quantum & theoretical chemistry PNRS: Solid state chemistry Chemische Bindung (DE-588)4009843-6 s DE-604 Grabowsky, Simon (DE-588)1234606682 edt Erscheint auch als Online-Ausgabe, PDF 978-3-11-066007-4 Erscheint auch als Online-Ausgabe, EPUB 978-3-11-066027-2 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=032638052&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
spellingShingle | Complementary bonding analysis Chemische Bindung (DE-588)4009843-6 gnd |
subject_GND | (DE-588)4009843-6 |
title | Complementary bonding analysis |
title_auth | Complementary bonding analysis |
title_exact_search | Complementary bonding analysis |
title_exact_search_txtP | Complementary bonding analysis |
title_full | Complementary bonding analysis edited by Simon Grabowsky |
title_fullStr | Complementary bonding analysis edited by Simon Grabowsky |
title_full_unstemmed | Complementary bonding analysis edited by Simon Grabowsky |
title_short | Complementary bonding analysis |
title_sort | complementary bonding analysis |
topic | Chemische Bindung (DE-588)4009843-6 gnd |
topic_facet | Chemische Bindung |
url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=032638052&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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